(S)-3-(tert-Butyl)-4-(3,5-diisopropyl-2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole

Catalog Number	ACM2444702332
CAS	2444702-33-2
Synonyms	1,3-Benzoxaphosphole, 4-[2,6-dimethoxy-3,5-bis(1-methylethyl)phenyl]-3-(1,1-dimethylethyl)-2,3-dihydro-, (3S)-
IUPAC Name	(3S)-3-tert-butyl-4-[2,6-dimethoxy-3,5-di(propan-2-yl)phenyl]-2H-1,3-benzoxaphosphole
Molecular Weight	414.52
Molecular Formula	C25H35O3P
InChI	OOHKUWRYRFUFIJ-GDLZYMKVSA-N
InChI Key	InChI=1S/C25H35O3P/c1-15(2)18-13-19(16(3)4)23(27-9)21(22(18)26-8)17-11-10-12-20-24(17)29(14-28-20)25(5,6)7/h10-13,15-16H,14H2,1-9H3/t29-/m1/s1
Boiling Point	503.9±50.0 °C(Predicted)
Purity	97%+
Isomeric SMILES	CC(C)C1=CC(=C(C(=C1OC)C2=C3C(=CC=C2)OC[P@]3C(C)(C)C)OC)C(C)C

Q&A

What is the molecular formula of (S)-3-(tert-Butyl)-4-(3,5-diisopropyl-2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

The molecular formula is C25H37O3PS.

What is the exact mass of (S)-3-(tert-Butyl)-4-(3,5-diisopropyl-2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

The exact mass is 448.22010321.

How many hydrogen bond acceptors does (S)-3-(tert-Butyl)-4-(3,5-diisopropyl-2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole have?

The compound has 4 hydrogen bond acceptors.

How many hydrogen bond donors does (S)-3-(tert-Butyl)-4-(3,5-diisopropyl-2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole have?

The compound has 1 hydrogen bond donor.

What is the canonical SMILES representation of (S)-3-(tert-Butyl)-4-(3,5-diisopropyl-2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

CC(C)C1=CC(=C(C(=C1OC)C2=C3C(=CC=C2)OCP3C(C)(C)C)OC)C(C)C.S

How many heavy atoms are present in (S)-3-(tert-Butyl)-4-(3,5-diisopropyl-2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

There are 30 heavy atoms.

What is the IUPAC name of (S)-3-(tert-Butyl)-4-(3,5-diisopropyl-2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

(3S)-3-tert-butyl-4-[2,6-dimethoxy-3,5-di(propan-2-yl)phenyl]-2H-1,3-benzoxaphosphole;sulfane

What is the computed properties complexity of (S)-3-(tert-Butyl)-4-(3,5-diisopropyl-2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

The computed properties complexity is 507.

What is the monoisotopic mass of (S)-3-(tert-Butyl)-4-(3,5-diisopropyl-2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

The monoisotopic mass is 448.22010321.

What are the depositor-supplied synonyms of (S)-3-(tert-Butyl)-4-(3,5-diisopropyl-2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

CS-0092216, CS-0198439, 2444702-34-3.