benzyl(pentadecyl)phosphane

C22H39P — CID 174798233

IUPACbenzyl(pentadecyl)phosphane
SMILESCCCCCCCCCCCCCCCPCc1ccccc1
InChIInChI=1S/C22H39P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23-21-22-18-15-14-16-19-22/h14-16,18-19,23H,2-13,17,20-21H2,1H3
InChIKeyOHLWNNXEJKIFJE-UHFFFAOYSA-N
MW334.53 g/mol
LogP7.96
Rot. Bonds16

About benzyl(pentadecyl)phosphane

benzyl(pentadecyl)phosphane (PubChem CID 174798233) has the molecular formula C22H39P and a molecular weight of 334.53 g/mol. Its IUPAC name is benzyl(pentadecyl)phosphane.

Molecular Properties

Compound Namebenzyl(pentadecyl)phosphane
PubChem CID174798233
Molecular FormulaC22H39P
Molecular Weight334.53 g/mol
Exact Mass334.28
IUPAC Namebenzyl(pentadecyl)phosphane
SMILESCCCCCCCCCCCCCCCPCc1ccccc1
InChIInChI=1S/C22H39P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23-21-22-18-15-14-16-19-22/h14-16,18-19,23H,2-13,17,20-21H2,1H3
InChIKeyOHLWNNXEJKIFJE-UHFFFAOYSA-N
XLogP7.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.53
LogP ≤ 57.96
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

benzyl(pentadecyl)phosphane;hydrobromide
CID 174798232
benzyl(propyl)phosphane
CID 69425003
decyl(2-phenylethyl)phosphane
CID 69425804
butyl(2-phenylethyl)phosphane
CID 69425229
hexakis(decane);ethylbenzene
CID 173398562
dibenzyl(didecyl)phosphanium
CID 69307785
heptadecyl(3,3,3-triphenylpropyl)phosphane
CID 69389149
pentadecane;pentadecylbenzene
CID 174970881
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347

Frequently Asked Questions

What is the IUPAC name of benzyl(pentadecyl)phosphane?
The IUPAC name of benzyl(pentadecyl)phosphane (CID 174798233) is benzyl(pentadecyl)phosphane.
What is the SMILES notation for benzyl(pentadecyl)phosphane?
The canonical SMILES for benzyl(pentadecyl)phosphane is CCCCCCCCCCCCCCCPCc1ccccc1.
What is the InChIKey of benzyl(pentadecyl)phosphane?
The InChIKey is OHLWNNXEJKIFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23-21-22-18-15-14-16-19-22/h14-16,18-19,23H,2-13,17,20-21H2,1H3.
What are the key properties of benzyl(pentadecyl)phosphane?
benzyl(pentadecyl)phosphane has a molecular weight of 334.53 g/mol, XLogP of 7.96, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(pentadecyl)phosphane is sourced from PubChem (CID 174798233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).