1-[chloro(methyl)phosphoryl]tetradecane

C15H32ClOP — CID 54104937

IUPAC1-[chloro(methyl)phosphoryl]tetradecane
SMILESCCCCCCCCCCCCCCP(C)(=O)Cl
InChIInChI=1S/C15H32ClOP/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(2,16)17/h3-15H2,1-2H3
InChIKeyNDBQXLIIYNSSCV-UHFFFAOYSA-N
MW294.85 g/mol
LogP6.83
Rot. Bonds13

About 1-[chloro(methyl)phosphoryl]tetradecane

1-[chloro(methyl)phosphoryl]tetradecane (PubChem CID 54104937) has the molecular formula C15H32ClOP and a molecular weight of 294.85 g/mol. Its IUPAC name is 1-[chloro(methyl)phosphoryl]tetradecane.

Molecular Properties

Compound Name1-[chloro(methyl)phosphoryl]tetradecane
PubChem CID54104937
Molecular FormulaC15H32ClOP
Molecular Weight294.85 g/mol
Exact Mass294.19
IUPAC Name1-[chloro(methyl)phosphoryl]tetradecane
SMILESCCCCCCCCCCCCCCP(C)(=O)Cl
InChIInChI=1S/C15H32ClOP/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(2,16)17/h3-15H2,1-2H3
InChIKeyNDBQXLIIYNSSCV-UHFFFAOYSA-N
XLogP6.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.85
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1-[chloro(methyl)phosphoryl]butane
CID 14592594
1-didodecylphosphoryldodecane
CID 12543829
1-dihexylphosphorylhexane;1-dioctylphosphoryloctane
CID 121237547
1-[methyl-[methyl(tetradecyl)phosphoryl]oxyphosphoryl]tetradecane
CID 54423327
magnesium methyl(octyl)phosphinate
CID 176884397
1-[chloro(propoxy)phosphoryl]hexane
CID 20555775
1-[chloro(ethoxy)phosphoryl]docosane
CID 71395533
1-[chloro(propoxy)phosphoryl]dodecane
CID 54374969
1-[amino(octyl)phosphoryl]octane
CID 87396731
dichloro-hexyl-sulfanylidene-lambda5-phosphane
CID 12782644
dioxido-oxo-tridecyl-λ5-phosphane
CID 23340102
hexylphosphonic acid;octylphosphonic acid
CID 155346901

Frequently Asked Questions

What is the IUPAC name of 1-[chloro(methyl)phosphoryl]tetradecane?
The IUPAC name of 1-[chloro(methyl)phosphoryl]tetradecane (CID 54104937) is 1-[chloro(methyl)phosphoryl]tetradecane.
What is the SMILES notation for 1-[chloro(methyl)phosphoryl]tetradecane?
The canonical SMILES for 1-[chloro(methyl)phosphoryl]tetradecane is CCCCCCCCCCCCCCP(C)(=O)Cl.
What is the InChIKey of 1-[chloro(methyl)phosphoryl]tetradecane?
The InChIKey is NDBQXLIIYNSSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32ClOP/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(2,16)17/h3-15H2,1-2H3.
What are the key properties of 1-[chloro(methyl)phosphoryl]tetradecane?
1-[chloro(methyl)phosphoryl]tetradecane has a molecular weight of 294.85 g/mol, XLogP of 6.83, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(methyl)phosphoryl]tetradecane is sourced from PubChem (CID 54104937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).