hexadecyl(dimethyl)phosphane;hydrochloride

C18H40ClP — CID 173426692

IUPAChexadecyl(dimethyl)phosphane;hydrochloride
SMILESCCCCCCCCCCCCCCCCP(C)C.Cl
InChIInChI=1S/C18H39P.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;/h4-18H2,1-3H3;1H
InChIKeyPYEYNOJMLRPTGU-UHFFFAOYSA-N
MW322.95 g/mol
LogP7.63
Rot. Bonds15

About hexadecyl(dimethyl)phosphane;hydrochloride

hexadecyl(dimethyl)phosphane;hydrochloride (PubChem CID 173426692) has the molecular formula C18H40ClP and a molecular weight of 322.95 g/mol. Its IUPAC name is hexadecyl(dimethyl)phosphane;hydrochloride.

Molecular Properties

Compound Namehexadecyl(dimethyl)phosphane;hydrochloride
PubChem CID173426692
Molecular FormulaC18H40ClP
Molecular Weight322.95 g/mol
Exact Mass322.26
IUPAC Namehexadecyl(dimethyl)phosphane;hydrochloride
SMILESCCCCCCCCCCCCCCCCP(C)C.Cl
InChIInChI=1S/C18H39P.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;/h4-18H2,1-3H3;1H
InChIKeyPYEYNOJMLRPTGU-UHFFFAOYSA-N
XLogP7.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.95
LogP ≤ 57.63
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

heptyl(dimethyl)phosphane
CID 18386855
tetrakis(dodecyl(dimethyl)phosphane);nickel
CID 161299550
deuteriomethyl-dodecyl-methylphosphane
CID 162415036
methyl-di(tetradecyl)phosphane
CID 89485367
hexyl-methyl-octylphosphane
CID 22497581
diheptyl(methyl)phosphane
CID 22497718
4-(4-hexylphenyl)butyl-dimethylphosphane
CID 142018377
icosane;tetrahydrochloride
CID 143212018
bis(heptane);hydrochloride
CID 160833718
octacosane;sulfane
CID 157204687
pentacosane;hydrochloride
CID 172714496
nonadecane;hydrochloride
CID 172821128

Frequently Asked Questions

What is the IUPAC name of hexadecyl(dimethyl)phosphane;hydrochloride?
The IUPAC name of hexadecyl(dimethyl)phosphane;hydrochloride (CID 173426692) is hexadecyl(dimethyl)phosphane;hydrochloride.
What is the SMILES notation for hexadecyl(dimethyl)phosphane;hydrochloride?
The canonical SMILES for hexadecyl(dimethyl)phosphane;hydrochloride is CCCCCCCCCCCCCCCCP(C)C.Cl.
What is the InChIKey of hexadecyl(dimethyl)phosphane;hydrochloride?
The InChIKey is PYEYNOJMLRPTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39P.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;/h4-18H2,1-3H3;1H.
What are the key properties of hexadecyl(dimethyl)phosphane;hydrochloride?
hexadecyl(dimethyl)phosphane;hydrochloride has a molecular weight of 322.95 g/mol, XLogP of 7.63, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecyl(dimethyl)phosphane;hydrochloride is sourced from PubChem (CID 173426692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).