8,8-diphenyloctyl(oxo)phosphanium

C20H26OP+ — CID 173421020

IUPAC8,8-diphenyloctyl(oxo)phosphanium
SMILESO=[PH+]CCCCCCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25OP/c21-22-17-11-3-1-2-10-16-20(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15,20H,1-3,10-11,16-17H2/p+1
InChIKeyLRZCNVXFJRAGDQ-UHFFFAOYSA-O
MW313.40 g/mol
LogP6.18
Rot. Bonds10

About 8,8-diphenyloctyl(oxo)phosphanium

8,8-diphenyloctyl(oxo)phosphanium (PubChem CID 173421020) has the molecular formula C20H26OP+ and a molecular weight of 313.40 g/mol. Its IUPAC name is 8,8-diphenyloctyl(oxo)phosphanium.

Molecular Properties

Compound Name8,8-diphenyloctyl(oxo)phosphanium
PubChem CID173421020
Molecular FormulaC20H26OP+
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name8,8-diphenyloctyl(oxo)phosphanium
SMILESO=[PH+]CCCCCCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25OP/c21-22-17-11-3-1-2-10-16-20(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15,20H,1-3,10-11,16-17H2/p+1
InChIKeyLRZCNVXFJRAGDQ-UHFFFAOYSA-O
XLogP6.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.40
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

12,12-diphenyldodecyl(trihydroxy)phosphanium
CID 66694525
2-acetyl-10,10-diphenyldecanoic acid
CID 69432252
6,6-diphenylhexyl dihydrogen phosphate
CID 139923067
2-(8,8-diphenyloctyl)phenol
CID 66867292
2-(7,7-diphenylheptyl)phenol
CID 66866981
19,19-diphenylnonadecyl dihydrogen phosphite
CID 19792274
N-ethyl-N-methylethanamine;1-phenylheptylbenzene
CID 18402602
1-iodo-4-(1-phenylheptyl)benzene
CID 57089203
7,7-diphenylheptan-3-amine
CID 21426298
4,4-diphenylbutane-1-sulfinate
CID 67315060
1-(6,6-diphenylhexyl)piperidine
CID 161365973
(4-isocyanato-1-phenylbutyl)benzene
CID 174773142

Frequently Asked Questions

What is the IUPAC name of 8,8-diphenyloctyl(oxo)phosphanium?
The IUPAC name of 8,8-diphenyloctyl(oxo)phosphanium (CID 173421020) is 8,8-diphenyloctyl(oxo)phosphanium.
What is the SMILES notation for 8,8-diphenyloctyl(oxo)phosphanium?
The canonical SMILES for 8,8-diphenyloctyl(oxo)phosphanium is O=[PH+]CCCCCCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 8,8-diphenyloctyl(oxo)phosphanium?
The InChIKey is LRZCNVXFJRAGDQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H25OP/c21-22-17-11-3-1-2-10-16-20(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15,20H,1-3,10-11,16-17H2/p+1.
What are the key properties of 8,8-diphenyloctyl(oxo)phosphanium?
8,8-diphenyloctyl(oxo)phosphanium has a molecular weight of 313.40 g/mol, XLogP of 6.18, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-diphenyloctyl(oxo)phosphanium is sourced from PubChem (CID 173421020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).