Di(adamantan-1-yl)(tert-butyl)phosphine

Catalog Number	ACM163124398
CAS	163124-39-8
Synonyms	Bis(1-Adamantyl)Tert-Butylphosphine; Bis(1-Adamantyl)-Tert-Butylphosphane
IUPAC Name	bis(1-adamantyl)-tert-butylphosphane
Molecular Weight	358.54
Molecular Formula	C24H39P
InChI	XJIXVSYABXKOAQ-UHFFFAOYSA-N
InChI Key	InChI=1S/C24H39P/c1-22(2,3)25(23-10-16-4-17(11-23)6-18(5-16)12-23)24-13-19-7-20(14-24)9-21(8-19)15-24/h16-21H,4-15H2,1-3H3
Boiling Point	441.1±12.0 °C(Predicted)
Purity	97%
Isomeric SMILES	CC(C)(C)P(C12CC3CC(C1)CC(C3)C2)C45CC6CC(C4)CC(C6)C5

Q&A

What is the molecular formula of Di(adamantan-1-yl)(tert-butyl)phosphine?

The molecular formula is C24H39P.

What is the exact mass of Di(adamantan-1-yl)(tert-butyl)phosphine?

The exact mass is 358.278938242.

What is the InChIKey of Di(adamantan-1-yl)(tert-butyl)phosphine?

The InChIKey is XJIXVSYABXKOAQ-UHFFFAOYSA-N.

What is the canonical SMILES of Di(adamantan-1-yl)(tert-butyl)phosphine?

The canonical SMILES is CC(C)(C)P(C12CC3CC(C1)CC(C3)C2)C45CC6CC(C4)CC(C6)C5.

How many heavy atoms are present in the molecule of Di(adamantan-1-yl)(tert-butyl)phosphine?

There are 25 heavy atoms.

What is the computed properties complexity of Di(adamantan-1-yl)(tert-butyl)phosphine?

The complexity is 441.

Do Di(adamantan-1-yl)(tert-butyl)phosphine have any hydrogen bond acceptor count?

No, it does not have any hydrogen bond acceptor count.

What is the computed properties XLogP3 of Di(adamantan-1-yl)(tert-butyl)phosphine?

The XLogP3 is 6.3.

What is the IUPAC name of Di(adamantan-1-yl)(tert-butyl)phosphine?

The IUPAC name is bis(1-adamantyl)-tert-butylphosphane.

What is the depositor-supplied synonym of Di(adamantan-1-yl)(tert-butyl)phosphine?

The depositor-supplied synonym is 163124-39-8.