((6R,9R,14aS)-6,9-Dimethyl-6,7,8,9-tetrahydrodibenzo[b,d][1,6]dioxecine-1,14-diyl)bis(diphenylphosphine)

Catalog Number	ACM827322510
CAS	827322-51-0
Synonyms	[(9R,12R)-18-Diphenylphosphanyl-9,12-dimethyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl]-diphenylphosphane
IUPAC Name	[(9R,12R)-18-diphenylphosphanyl-9,12-dimethyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl]-diphenylphosphane
Molecular Weight	636.70
Molecular Formula	C42H38O2P2
InChI	QZHCPYVEVLIKMR-ROJLCIKYSA-N
InChI Key	InChI=1S/C42H38O2P2/c1-31-29-30-32(2)44-38-26-16-28-40(46(35-21-11-5-12-22-35)36-23-13-6-14-24-36)42(38)41-37(43-31)25-15-27-39(41)45(33-17-7-3-8-18-33)34-19-9-4-10-20-34/h3-28,31-32H,29-30H2,1-2H3/t31-,32-/m1/s1
Purity	98%
Isomeric SMILES	C[C@@H]1CC[C@H](OC2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)C5=C(O1)C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)C

Q&A

What is the molecular formula of ((6R,9R,14aS)-6,9-Dimethyl-6,7,8,9-tetrahydrodibenzo[b,d][1,6]dioxecine-1,14-diyl)bis(diphenylphosphine)?

The molecular formula is C42H38O2P2.

What is the molecular weight of ((6R,9R,14aS)-6,9-Dimethyl-6,7,8,9-tetrahydrodibenzo[b,d][1,6]dioxecine-1,14-diyl)bis(diphenylphosphine)?

The molecular weight is 636.7g/mol.

What is the exact mass of ((6R,9R,14aS)-6,9-Dimethyl-6,7,8,9-tetrahydrodibenzo[b,d][1,6]dioxecine-1,14-diyl)bis(diphenylphosphine)?

The exact mass is 636.23470445.

How many heavy atoms does ((6R,9R,14aS)-6,9-Dimethyl-6,7,8,9-tetrahydrodibenzo[b,d][1,6]dioxecine-1,14-diyl)bis(diphenylphosphine) contain?

It contains 46 heavy atoms.

What is the InChIKey of ((6R,9R,14aS)-6,9-Dimethyl-6,7,8,9-tetrahydrodibenzo[b,d][1,6]dioxecine-1,14-diyl)bis(diphenylphosphine)?

The InChIKey is QZHCPYVEVLIKMR-ROJLCIKYSA-N.

How many hydrogen bond acceptors are present in the structure of ((6R,9R,14aS)-6,9-Dimethyl-6,7,8,9-tetrahydrodibenzo[b,d][1,6]dioxecine-1,14-diyl)bis(diphenylphosphine)?

There are 2 hydrogen bond acceptors.

What is the Computed Properties XLogP3 value for ((6R,9R,14aS)-6,9-Dimethyl-6,7,8,9-tetrahydrodibenzo[b,d][1,6]dioxecine-1,14-diyl)bis(diphenylphosphine)?

The XLogP3 value is 10.2.

How many rotatable bonds are present in the structure of ((6R,9R,14aS)-6,9-Dimethyl-6,7,8,9-tetrahydrodibenzo[b,d][1,6]dioxecine-1,14-diyl)bis(diphenylphosphine)?

There are 6 rotatable bonds.

What is the Canonical SMILES of ((6R,9R,14aS)-6,9-Dimethyl-6,7,8,9-tetrahydrodibenzo[b,d][1,6]dioxecine-1,14-diyl)bis(diphenylphosphine)?

The Canonical SMILES is CC1CCC(OC2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)C5=C(O1)C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)C.

What are the Depositor-Supplied Synonyms for ((6R,9R,14aS)-6,9-Dimethyl-6,7,8,9-tetrahydrodibenzo[b,d][1,6]dioxecine-1,14-diyl)bis(diphenylphosphine)?

The Depositor-Supplied Synonyms are ((6R,9R,14aS)-6,9-Dimethyl-6,7,8,9-tetrahydrodibenzo[b,d][1,6]dioxecine-1,14-diyl)bis(diphenylphosphine) and 827322-51-0.