1-diethoxyphosphoryldodecan-2-ol

C16H35O4P — CID 10448817

IUPAC1-diethoxyphosphoryldodecan-2-ol
SMILESCCCCCCCCCCC(O)CP(=O)(OCC)OCC
InChIInChI=1S/C16H35O4P/c1-4-7-8-9-10-11-12-13-14-16(17)15-21(18,19-5-2)20-6-3/h16-17H,4-15H2,1-3H3
InChIKeyBIUGLXLIIITYRD-UHFFFAOYSA-N
MW322.43 g/mol
LogP5.14
Rot. Bonds15

About 1-diethoxyphosphoryldodecan-2-ol

1-diethoxyphosphoryldodecan-2-ol (PubChem CID 10448817) has the molecular formula C16H35O4P and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-diethoxyphosphoryldodecan-2-ol.

Molecular Properties

Compound Name1-diethoxyphosphoryldodecan-2-ol
PubChem CID10448817
Molecular FormulaC16H35O4P
Molecular Weight322.43 g/mol
Exact Mass322.23
IUPAC Name1-diethoxyphosphoryldodecan-2-ol
SMILESCCCCCCCCCCC(O)CP(=O)(OCC)OCC
InChIInChI=1S/C16H35O4P/c1-4-7-8-9-10-11-12-13-14-16(17)15-21(18,19-5-2)20-6-3/h16-17H,4-15H2,1-3H3
InChIKeyBIUGLXLIIITYRD-UHFFFAOYSA-N
XLogP5.14
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.43
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-dimethoxyphosphoryltridecan-2-ol
CID 15584231
1-diethoxyphosphorylheptan-2-ylazanium chloride
CID 134863072
(2R)-1-diethoxyphosphoryl-2-fluorohexane
CID 125470992
4-(diethoxyphosphorylmethyl)octane
CID 102507048
1-dimethoxyphosphoryltridecan-3-ol
CID 10425403
(7R)-hexatriacontan-7-ol
CID 88529159
nonacosane-7,20-diol
CID 174949468
tetracosan-6-ol
CID 154265400
icosan-9-ol
CID 11983377
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryldodecan-2-ol?
The IUPAC name of 1-diethoxyphosphoryldodecan-2-ol (CID 10448817) is 1-diethoxyphosphoryldodecan-2-ol.
What is the SMILES notation for 1-diethoxyphosphoryldodecan-2-ol?
The canonical SMILES for 1-diethoxyphosphoryldodecan-2-ol is CCCCCCCCCCC(O)CP(=O)(OCC)OCC.
What is the InChIKey of 1-diethoxyphosphoryldodecan-2-ol?
The InChIKey is BIUGLXLIIITYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35O4P/c1-4-7-8-9-10-11-12-13-14-16(17)15-21(18,19-5-2)20-6-3/h16-17H,4-15H2,1-3H3.
What are the key properties of 1-diethoxyphosphoryldodecan-2-ol?
1-diethoxyphosphoryldodecan-2-ol has a molecular weight of 322.43 g/mol, XLogP of 5.14, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryldodecan-2-ol is sourced from PubChem (CID 10448817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).