octan-2-yl(diphenyl)phosphane

C20H27P — CID 18359504

IUPACoctan-2-yl(diphenyl)phosphane
SMILESCCCCCCC(C)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27P/c1-3-4-5-8-13-18(2)21(19-14-9-6-10-15-19)20-16-11-7-12-17-20/h6-7,9-12,14-18H,3-5,8,13H2,1-2H3
InChIKeyAUAULOQRWPJTIA-UHFFFAOYSA-N
MW298.41 g/mol
LogP5.48
Rot. Bonds8

About octan-2-yl(diphenyl)phosphane

octan-2-yl(diphenyl)phosphane (PubChem CID 18359504) has the molecular formula C20H27P and a molecular weight of 298.41 g/mol. Its IUPAC name is octan-2-yl(diphenyl)phosphane.

Molecular Properties

Compound Nameoctan-2-yl(diphenyl)phosphane
PubChem CID18359504
Molecular FormulaC20H27P
Molecular Weight298.41 g/mol
Exact Mass298.19
IUPAC Nameoctan-2-yl(diphenyl)phosphane
SMILESCCCCCCC(C)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27P/c1-3-4-5-8-13-18(2)21(19-14-9-6-10-15-19)20-16-11-7-12-17-20/h6-7,9-12,14-18H,3-5,8,13H2,1-2H3
InChIKeyAUAULOQRWPJTIA-UHFFFAOYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.41
LogP ≤ 55.48
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

2-diphenylphosphanylundecanoic acid
CID 140969530
1-diphenylphosphanylicosan-2-yl(diphenyl)phosphane
CID 20520959
diphenyl(1-phenylheptan-2-yl)phosphane
CID 139486900
decyl-dimethyl-phenylphosphanium
CID 67813887
hexyl(triphenyl)phosphanium
CID 2724570
[(2R)-heptan-2-yl]-triphenylphosphanium
CID 98534307
dodecyl-dimethyl-phenylphosphanium chloride
CID 22117723
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
triphenyl(undecyl)phosphanium chloride
CID 22921220
decyl-[6-[nonyl(diphenyl)phosphaniumyl]hexyl]-diphenylphosphanium
CID 176612024
dodecyl(triphenyl)phosphanium iodide
CID 22245251

Frequently Asked Questions

What is the IUPAC name of octan-2-yl(diphenyl)phosphane?
The IUPAC name of octan-2-yl(diphenyl)phosphane (CID 18359504) is octan-2-yl(diphenyl)phosphane.
What is the SMILES notation for octan-2-yl(diphenyl)phosphane?
The canonical SMILES for octan-2-yl(diphenyl)phosphane is CCCCCCC(C)P(c1ccccc1)c1ccccc1.
What is the InChIKey of octan-2-yl(diphenyl)phosphane?
The InChIKey is AUAULOQRWPJTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27P/c1-3-4-5-8-13-18(2)21(19-14-9-6-10-15-19)20-16-11-7-12-17-20/h6-7,9-12,14-18H,3-5,8,13H2,1-2H3.
What are the key properties of octan-2-yl(diphenyl)phosphane?
octan-2-yl(diphenyl)phosphane has a molecular weight of 298.41 g/mol, XLogP of 5.48, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octan-2-yl(diphenyl)phosphane is sourced from PubChem (CID 18359504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).