1-dimethoxyphosphoryltridecan-3-ol

C15H33O4P — CID 10425403

IUPAC1-dimethoxyphosphoryltridecan-3-ol
SMILESCCCCCCCCCCC(O)CCP(=O)(OC)OC
InChIInChI=1S/C15H33O4P/c1-4-5-6-7-8-9-10-11-12-15(16)13-14-20(17,18-2)19-3/h15-16H,4-14H2,1-3H3
InChIKeyQCMKSKOYZCQFTM-UHFFFAOYSA-N
MW308.40 g/mol
LogP4.75
Rot. Bonds14

About 1-dimethoxyphosphoryltridecan-3-ol

1-dimethoxyphosphoryltridecan-3-ol (PubChem CID 10425403) has the molecular formula C15H33O4P and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-dimethoxyphosphoryltridecan-3-ol.

Molecular Properties

Compound Name1-dimethoxyphosphoryltridecan-3-ol
PubChem CID10425403
Molecular FormulaC15H33O4P
Molecular Weight308.40 g/mol
Exact Mass308.21
IUPAC Name1-dimethoxyphosphoryltridecan-3-ol
SMILESCCCCCCCCCCC(O)CCP(=O)(OC)OC
InChIInChI=1S/C15H33O4P/c1-4-5-6-7-8-9-10-11-12-15(16)13-14-20(17,18-2)19-3/h15-16H,4-14H2,1-3H3
InChIKeyQCMKSKOYZCQFTM-UHFFFAOYSA-N
XLogP4.75
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 54.75
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
(7R)-hexatriacontan-7-ol
CID 88529159
nonacosane-7,20-diol
CID 174949468
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
tetratetracontan-22-ol
CID 91434437
2-hydroxydodecyl dimethyl phosphate
CID 10018272
icosane-5,11-diol
CID 170722582
(5S)-octadecan-5-ol
CID 98231191

Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphoryltridecan-3-ol?
The IUPAC name of 1-dimethoxyphosphoryltridecan-3-ol (CID 10425403) is 1-dimethoxyphosphoryltridecan-3-ol.
What is the SMILES notation for 1-dimethoxyphosphoryltridecan-3-ol?
The canonical SMILES for 1-dimethoxyphosphoryltridecan-3-ol is CCCCCCCCCCC(O)CCP(=O)(OC)OC.
What is the InChIKey of 1-dimethoxyphosphoryltridecan-3-ol?
The InChIKey is QCMKSKOYZCQFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33O4P/c1-4-5-6-7-8-9-10-11-12-15(16)13-14-20(17,18-2)19-3/h15-16H,4-14H2,1-3H3.
What are the key properties of 1-dimethoxyphosphoryltridecan-3-ol?
1-dimethoxyphosphoryltridecan-3-ol has a molecular weight of 308.40 g/mol, XLogP of 4.75, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryltridecan-3-ol is sourced from PubChem (CID 10425403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).