8-diethoxyphosphoryloctan-1-ol

C12H27O4P — CID 10515886

IUPAC8-diethoxyphosphoryloctan-1-ol
SMILESCCOP(=O)(CCCCCCCCO)OCC
InChIInChI=1S/C12H27O4P/c1-3-15-17(14,16-4-2)12-10-8-6-5-7-9-11-13/h13H,3-12H2,1-2H3
InChIKeyHPKIXFURWXKAKX-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.59
Rot. Bonds12

About 8-diethoxyphosphoryloctan-1-ol

8-diethoxyphosphoryloctan-1-ol (PubChem CID 10515886) has the molecular formula C12H27O4P and a molecular weight of 266.32 g/mol. Its IUPAC name is 8-diethoxyphosphoryloctan-1-ol.

Molecular Properties

Compound Name8-diethoxyphosphoryloctan-1-ol
PubChem CID10515886
Molecular FormulaC12H27O4P
Molecular Weight266.32 g/mol
Exact Mass266.16
IUPAC Name8-diethoxyphosphoryloctan-1-ol
SMILESCCOP(=O)(CCCCCCCCO)OCC
InChIInChI=1S/C12H27O4P/c1-3-15-17(14,16-4-2)12-10-8-6-5-7-9-11-13/h13H,3-12H2,1-2H3
InChIKeyHPKIXFURWXKAKX-UHFFFAOYSA-N
XLogP3.59
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.59
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'}

Analyze 8-diethoxyphosphoryloctan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-diethoxyphosphorylethylamino)hexan-1-ol
CID 175947298
1-diethoxyphosphoryldecane
CID 2773697
1-diethoxyphosphorylundecane
CID 57360026
13-diethoxyphosphoryltridecanoic acid
CID 87637864
11-diethoxyphosphorylundecanoic acid
CID 45158998
4-dicyclopropyloxyphosphorylbutan-1-ol
CID 87672740
ethyl 5-diethoxyphosphorylpentanoate
CID 2773707
6-diethoxyphosphorylhexan-3-one
CID 91326618
5-diethoxyphosphoryl-2-methylpent-1-ene
CID 11345027
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 138625033
5-diethoxyphosphorylpentanenitrile
CID 54374059
9-[ethoxy(iodomethoxy)phosphoryl]-N-methylnonan-1-amine
CID 146259268

Frequently Asked Questions

What is the IUPAC name of 8-diethoxyphosphoryloctan-1-ol?
The IUPAC name of 8-diethoxyphosphoryloctan-1-ol (CID 10515886) is 8-diethoxyphosphoryloctan-1-ol.
What is the SMILES notation for 8-diethoxyphosphoryloctan-1-ol?
The canonical SMILES for 8-diethoxyphosphoryloctan-1-ol is CCOP(=O)(CCCCCCCCO)OCC.
What is the InChIKey of 8-diethoxyphosphoryloctan-1-ol?
The InChIKey is HPKIXFURWXKAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O4P/c1-3-15-17(14,16-4-2)12-10-8-6-5-7-9-11-13/h13H,3-12H2,1-2H3.
What are the key properties of 8-diethoxyphosphoryloctan-1-ol?
8-diethoxyphosphoryloctan-1-ol has a molecular weight of 266.32 g/mol, XLogP of 3.59, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-diethoxyphosphoryloctan-1-ol is sourced from PubChem (CID 10515886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).