[(E)-3-hydroxyoctadec-4-enyl] dihydrogen phosphite

C18H37O4P — CID 144692108

IUPAC[(E)-3-hydroxyoctadec-4-enyl] dihydrogen phosphite
SMILESCCCCCCCCCCCCC/C=C/C(O)CCOP(O)O
InChIInChI=1S/C18H37O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(19)16-17-22-23(20)21/h14-15,18-21H,2-13,16-17H2,1H3/b15-14+
InChIKeyAVOWRPPZYWAHPS-CCEZHUSRSA-N
MW348.46 g/mol
LogP5.22
Rot. Bonds17

About [(E)-3-hydroxyoctadec-4-enyl] dihydrogen phosphite

[(E)-3-hydroxyoctadec-4-enyl] dihydrogen phosphite (PubChem CID 144692108) has the molecular formula C18H37O4P and a molecular weight of 348.46 g/mol. Its IUPAC name is [(E)-3-hydroxyoctadec-4-enyl] dihydrogen phosphite.

Molecular Properties

Compound Name[(E)-3-hydroxyoctadec-4-enyl] dihydrogen phosphite
PubChem CID144692108
Molecular FormulaC18H37O4P
Molecular Weight348.46 g/mol
Exact Mass348.24
IUPAC Name[(E)-3-hydroxyoctadec-4-enyl] dihydrogen phosphite
SMILESCCCCCCCCCCCCC/C=C/C(O)CCOP(O)O
InChIInChI=1S/C18H37O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(19)16-17-22-23(20)21/h14-15,18-21H,2-13,16-17H2,1H3/b15-14+
InChIKeyAVOWRPPZYWAHPS-CCEZHUSRSA-N
XLogP5.22
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.46
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(E)-3-hydroxyoctadec-4-enyl] dihydrogen phosphite 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

henicos-7-en-6-ol
CID 91409967
undec-5-en-4-ol
CID 73071371
(E)-octadec-6-ene-1,8-diol
CID 10265918
octacos-10-ene-1,12-diol
CID 86172609
(E,2S)-dec-3-ene-1,2-diol
CID 101192698
(E)-1-aminodec-3-en-2-ol
CID 101275263
icosa-7,15-diene-6,9-diol
CID 57175111
(16R)-icosa-5,14-diene-1,16-diol
CID 91200816
1-O-[(E,3S)-3-hydroxyoctadec-4-enyl] 4-O-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl] butanedioate
CID 126709735
(E,12R)-12-hydroxyheptadec-10-enoic acid
CID 129382398
(E,13R)-13-hydroxyoctadec-11-enoic acid
CID 56935869
(Z,16R)-16-hydroxyhenicos-14-enoic acid
CID 11439238

Frequently Asked Questions

What is the IUPAC name of [(E)-3-hydroxyoctadec-4-enyl] dihydrogen phosphite?
The IUPAC name of [(E)-3-hydroxyoctadec-4-enyl] dihydrogen phosphite (CID 144692108) is [(E)-3-hydroxyoctadec-4-enyl] dihydrogen phosphite.
What is the SMILES notation for [(E)-3-hydroxyoctadec-4-enyl] dihydrogen phosphite?
The canonical SMILES for [(E)-3-hydroxyoctadec-4-enyl] dihydrogen phosphite is CCCCCCCCCCCCC/C=C/C(O)CCOP(O)O.
What is the InChIKey of [(E)-3-hydroxyoctadec-4-enyl] dihydrogen phosphite?
The InChIKey is AVOWRPPZYWAHPS-CCEZHUSRSA-N. The full InChI is InChI=1S/C18H37O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(19)16-17-22-23(20)21/h14-15,18-21H,2-13,16-17H2,1H3/b15-14+.
What are the key properties of [(E)-3-hydroxyoctadec-4-enyl] dihydrogen phosphite?
[(E)-3-hydroxyoctadec-4-enyl] dihydrogen phosphite has a molecular weight of 348.46 g/mol, XLogP of 5.22, 17 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-hydroxyoctadec-4-enyl] dihydrogen phosphite is sourced from PubChem (CID 144692108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).