chloro-ethyl-dimethyl-tetradecyl-λ5-phosphane

C18H40ClP — CID 139700838

IUPACchloro-ethyl-dimethyl-tetradecyl-λ5-phosphane
SMILESCCCCCCCCCCCCCCP(C)(C)(Cl)CC
InChIInChI=1S/C18H40ClP/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-20(3,4,19)6-2/h5-18H2,1-4H3
InChIKeyFUWADBQDOOTLBB-UHFFFAOYSA-N
MW322.95 g/mol
LogP7.67
Rot. Bonds14

About chloro-ethyl-dimethyl-tetradecyl-λ5-phosphane

chloro-ethyl-dimethyl-tetradecyl-λ5-phosphane (PubChem CID 139700838) has the molecular formula C18H40ClP and a molecular weight of 322.95 g/mol. Its IUPAC name is chloro-ethyl-dimethyl-tetradecyl-λ5-phosphane.

Molecular Properties

Compound Namechloro-ethyl-dimethyl-tetradecyl-λ5-phosphane
PubChem CID139700838
Molecular FormulaC18H40ClP
Molecular Weight322.95 g/mol
Exact Mass322.26
IUPAC Namechloro-ethyl-dimethyl-tetradecyl-λ5-phosphane
SMILESCCCCCCCCCCCCCCP(C)(C)(Cl)CC
InChIInChI=1S/C18H40ClP/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-20(3,4,19)6-2/h5-18H2,1-4H3
InChIKeyFUWADBQDOOTLBB-UHFFFAOYSA-N
XLogP7.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.95
LogP ≤ 57.67
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-trimethyl-tetracosyl-λ5-phosphane
CID 140680178
chloro-diethyl-di(nonyl)-λ5-phosphane
CID 140527901
chloro(tetrahexadecyl)-λ5-phosphane
CID 139758998
chloro-trihexyl-octadecyl-λ5-phosphane
CID 140528098
chloro-dioctadecyl-di(tetradecyl)-λ5-phosphane
CID 139758996
dibutyl-chloro-dihexadecyl-λ5-phosphane
CID 140527563
triheptyl-iodo-methyl-λ5-phosphane
CID 140527858
iodo-trimethyl-nonyl-λ5-phosphane
CID 140527821
triethyl-hexyl-iodo-λ5-phosphane
CID 140527694
didodecyl-diethyl-iodo-λ5-phosphane
CID 140528028
triethyl-iodo-nonyl-λ5-phosphane
CID 140527728
chloro-didecyl-dihydroxy-λ5-phosphane
CID 88807226

Frequently Asked Questions

What is the IUPAC name of chloro-ethyl-dimethyl-tetradecyl-λ5-phosphane?
The IUPAC name of chloro-ethyl-dimethyl-tetradecyl-λ5-phosphane (CID 139700838) is chloro-ethyl-dimethyl-tetradecyl-λ5-phosphane.
What is the SMILES notation for chloro-ethyl-dimethyl-tetradecyl-λ5-phosphane?
The canonical SMILES for chloro-ethyl-dimethyl-tetradecyl-λ5-phosphane is CCCCCCCCCCCCCCP(C)(C)(Cl)CC.
What is the InChIKey of chloro-ethyl-dimethyl-tetradecyl-λ5-phosphane?
The InChIKey is FUWADBQDOOTLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40ClP/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-20(3,4,19)6-2/h5-18H2,1-4H3.
What are the key properties of chloro-ethyl-dimethyl-tetradecyl-λ5-phosphane?
chloro-ethyl-dimethyl-tetradecyl-λ5-phosphane has a molecular weight of 322.95 g/mol, XLogP of 7.67, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-ethyl-dimethyl-tetradecyl-λ5-phosphane is sourced from PubChem (CID 139700838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).