1-diethoxyphosphoryldecane

C14H31O3P — CID 2773697

IUPAC1-diethoxyphosphoryldecane
SMILESCCCCCCCCCCP(=O)(OCC)OCC
InChIInChI=1S/C14H31O3P/c1-4-7-8-9-10-11-12-13-14-18(15,16-5-2)17-6-3/h4-14H2,1-3H3
InChIKeyHYQXIVAZQBYBAF-UHFFFAOYSA-N
MW278.37 g/mol
LogP5.39
Rot. Bonds13

About 1-diethoxyphosphoryldecane

1-diethoxyphosphoryldecane (PubChem CID 2773697) has the molecular formula C14H31O3P and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-diethoxyphosphoryldecane.

Molecular Properties

Compound Name1-diethoxyphosphoryldecane
PubChem CID2773697
Molecular FormulaC14H31O3P
Molecular Weight278.37 g/mol
Exact Mass278.20
IUPAC Name1-diethoxyphosphoryldecane
SMILESCCCCCCCCCCP(=O)(OCC)OCC
InChIInChI=1S/C14H31O3P/c1-4-7-8-9-10-11-12-13-14-18(15,16-5-2)17-6-3/h4-14H2,1-3H3
InChIKeyHYQXIVAZQBYBAF-UHFFFAOYSA-N
XLogP5.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.37
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-diethoxyphosphorylundecane
CID 57360026
1-dihexoxyphosphoryltetradecane
CID 151638840
1-didecoxyphosphoryltetradecane
CID 151616748
1-dioctoxyphosphoryldecane
CID 141369437
1-dibutoxyphosphoryloctacosane
CID 141204672
1-diheptoxyphosphoryloctadecane
CID 153322672
8-diethoxyphosphoryloctan-1-ol
CID 10515886
amino-(3-diethoxyphosphorylpropyl)-methyl-tetradecylazanium
CID 121391987
3-diethoxyphosphorylpropyl-hexadecyl-dimethylazanium;ethane
CID 145097741
1-diethoxyphosphoryloctadecane;3-ethylicosan-3-ylphosphonic acid
CID 157333830
3-diethoxyphosphorylpropyl-hexadecyl-methylazanium;methanol
CID 145097586
1-[ethoxy(methoxy)phosphoryl]butane
CID 86081258

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryldecane?
The IUPAC name of 1-diethoxyphosphoryldecane (CID 2773697) is 1-diethoxyphosphoryldecane.
What is the SMILES notation for 1-diethoxyphosphoryldecane?
The canonical SMILES for 1-diethoxyphosphoryldecane is CCCCCCCCCCP(=O)(OCC)OCC.
What is the InChIKey of 1-diethoxyphosphoryldecane?
The InChIKey is HYQXIVAZQBYBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31O3P/c1-4-7-8-9-10-11-12-13-14-18(15,16-5-2)17-6-3/h4-14H2,1-3H3.
What are the key properties of 1-diethoxyphosphoryldecane?
1-diethoxyphosphoryldecane has a molecular weight of 278.37 g/mol, XLogP of 5.39, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryldecane is sourced from PubChem (CID 2773697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).