(7-benzyl-8-phenyloctyl)phosphane

C21H29P — CID 118892745

IUPAC(7-benzyl-8-phenyloctyl)phosphane
SMILESPCCCCCCC(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H29P/c22-16-10-2-1-5-15-21(17-19-11-6-3-7-12-19)18-20-13-8-4-9-14-20/h3-4,6-9,11-14,21H,1-2,5,10,15-18,22H2
InChIKeyVCYFVGWNUCMFME-UHFFFAOYSA-N
MW312.44 g/mol
LogP5.91
Rot. Bonds10

About (7-benzyl-8-phenyloctyl)phosphane

(7-benzyl-8-phenyloctyl)phosphane (PubChem CID 118892745) has the molecular formula C21H29P and a molecular weight of 312.44 g/mol. Its IUPAC name is (7-benzyl-8-phenyloctyl)phosphane.

Molecular Properties

Compound Name(7-benzyl-8-phenyloctyl)phosphane
PubChem CID118892745
Molecular FormulaC21H29P
Molecular Weight312.44 g/mol
Exact Mass312.20
IUPAC Name(7-benzyl-8-phenyloctyl)phosphane
SMILESPCCCCCCC(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H29P/c22-16-10-2-1-5-15-21(17-19-11-6-3-7-12-19)18-20-13-8-4-9-14-20/h3-4,6-9,11-14,21H,1-2,5,10,15-18,22H2
InChIKeyVCYFVGWNUCMFME-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.44
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(4-benzyl-5-phenylpentyl)phosphane
CID 57129556
2-benzyltetradecylbenzene
CID 22920205
6-benzyldecylbenzene
CID 54156815
2-benzyloctadecan-1-ol
CID 67814123
3-benzylpentadecan-1-ol
CID 174933241
3-benzylheptadecan-1-ol
CID 70425860
2-benzyl-N,N-dimethyloctadecan-1-amine
CID 67604141
2-benzyl-N-methyldecan-1-amine
CID 63498488
(3S)-3-benzyl-1-phenylnonan-1-one
CID 101258041
2-benzyloctoxymethylbenzene
CID 134979791
7-octadecyl-1-phenylpentacosan-2-ol
CID 162497246
4-benzyl-5-phenylpentanal
CID 151491090

Frequently Asked Questions

What is the IUPAC name of (7-benzyl-8-phenyloctyl)phosphane?
The IUPAC name of (7-benzyl-8-phenyloctyl)phosphane (CID 118892745) is (7-benzyl-8-phenyloctyl)phosphane.
What is the SMILES notation for (7-benzyl-8-phenyloctyl)phosphane?
The canonical SMILES for (7-benzyl-8-phenyloctyl)phosphane is PCCCCCCC(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (7-benzyl-8-phenyloctyl)phosphane?
The InChIKey is VCYFVGWNUCMFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29P/c22-16-10-2-1-5-15-21(17-19-11-6-3-7-12-19)18-20-13-8-4-9-14-20/h3-4,6-9,11-14,21H,1-2,5,10,15-18,22H2.
What are the key properties of (7-benzyl-8-phenyloctyl)phosphane?
(7-benzyl-8-phenyloctyl)phosphane has a molecular weight of 312.44 g/mol, XLogP of 5.91, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7-benzyl-8-phenyloctyl)phosphane is sourced from PubChem (CID 118892745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).