chloro(hexadecyl)phosphane

C16H34ClP — CID 141387037

IUPACchloro(hexadecyl)phosphane
SMILESCCCCCCCCCCCCCCCCPCl
InChIInChI=1S/C16H34ClP/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17/h18H,2-16H2,1H3
InChIKeyHTBPVSKSWLZHBC-UHFFFAOYSA-N
MW292.88 g/mol
LogP7.30
Rot. Bonds15

About chloro(hexadecyl)phosphane

chloro(hexadecyl)phosphane (PubChem CID 141387037) has the molecular formula C16H34ClP and a molecular weight of 292.88 g/mol. Its IUPAC name is chloro(hexadecyl)phosphane.

Molecular Properties

Compound Namechloro(hexadecyl)phosphane
PubChem CID141387037
Molecular FormulaC16H34ClP
Molecular Weight292.88 g/mol
Exact Mass292.21
IUPAC Namechloro(hexadecyl)phosphane
SMILESCCCCCCCCCCCCCCCCPCl
InChIInChI=1S/C16H34ClP/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17/h18H,2-16H2,1H3
InChIKeyHTBPVSKSWLZHBC-UHFFFAOYSA-N
XLogP7.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.88
LogP ≤ 57.30
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

chloro(dodecyl)phosphane;N,N-dimethylmethanamine
CID 174595600
docosyl(docosylphosphanyl)phosphane
CID 21095052
octyl(pentylphosphanyl)phosphane
CID 21095189
decyl(undecyl)phosphane
CID 87830755
di(nonadecyl)phosphane
CID 87828565
dodecyl(octyl)phosphane
CID 87829037
methyl(tetradecyl)phosphane
CID 88708624
di(nonyl)phosphane;hydrochloride
CID 175813490
butyl(heptadecyl)phosphane
CID 146521828
CID 161246447
CID 161246447
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782

Frequently Asked Questions

What is the IUPAC name of chloro(hexadecyl)phosphane?
The IUPAC name of chloro(hexadecyl)phosphane (CID 141387037) is chloro(hexadecyl)phosphane.
What is the SMILES notation for chloro(hexadecyl)phosphane?
The canonical SMILES for chloro(hexadecyl)phosphane is CCCCCCCCCCCCCCCCPCl.
What is the InChIKey of chloro(hexadecyl)phosphane?
The InChIKey is HTBPVSKSWLZHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34ClP/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17/h18H,2-16H2,1H3.
What are the key properties of chloro(hexadecyl)phosphane?
chloro(hexadecyl)phosphane has a molecular weight of 292.88 g/mol, XLogP of 7.30, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(hexadecyl)phosphane is sourced from PubChem (CID 141387037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).