1-[(Z)-octadec-9-enyl]sulfinyltetradecan-4-ol

C32H64O2S — CID 139944928

IUPAC1-[(Z)-octadec-9-enyl]sulfinyltetradecan-4-ol
SMILESCCCCCCCC/C=C\CCCCCCCCS(=O)CCCC(O)CCCCCCCCCC
InChIInChI=1S/C32H64O2S/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-30-35(34)31-27-29-32(33)28-25-23-21-12-10-8-6-4-2/h15-16,32-33H,3-14,17-31H2,1-2H3/b16-15-
InChIKeyIRDGZKRJHVOHNZ-NXVVXOECSA-N
MW512.93 g/mol
LogP10.44
Rot. Bonds29

About 1-[(Z)-octadec-9-enyl]sulfinyltetradecan-4-ol

1-[(Z)-octadec-9-enyl]sulfinyltetradecan-4-ol (PubChem CID 139944928) has the molecular formula C32H64O2S and a molecular weight of 512.93 g/mol. Its IUPAC name is 1-[(Z)-octadec-9-enyl]sulfinyltetradecan-4-ol.

Molecular Properties

Compound Name1-[(Z)-octadec-9-enyl]sulfinyltetradecan-4-ol
PubChem CID139944928
Molecular FormulaC32H64O2S
Molecular Weight512.93 g/mol
Exact Mass512.46
IUPAC Name1-[(Z)-octadec-9-enyl]sulfinyltetradecan-4-ol
SMILESCCCCCCCC/C=C\CCCCCCCCS(=O)CCCC(O)CCCCCCCCCC
InChIInChI=1S/C32H64O2S/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-30-35(34)31-27-29-32(33)28-25-23-21-12-10-8-6-4-2/h15-16,32-33H,3-14,17-31H2,1-2H3/b16-15-
InChIKeyIRDGZKRJHVOHNZ-NXVVXOECSA-N
XLogP10.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.93
LogP ≤ 510.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(Z)-octadec-9-enyl]sulfinyltetradecan-4-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

octacos-21-en-10-ol
CID 163011476
(Z)-tetracos-6-en-10-ol
CID 168947717
(E)-hentetracont-36-en-5-ol
CID 87492179
henicosa-6,15-dien-10-ol
CID 141379717
(Z)-4-hydroxyoctadec-9-enal
CID 173341795
(E,10S)-henicos-7-en-10-ol
CID 14607531
(Z)-octadec-10-en-8-ol
CID 173051806
(Z)-pentadec-8-en-6-ol
CID 10398809
octadec-9-ene-1,2-diol
CID 139720566
(Z)-8-hydroxytetracos-15-enoic acid
CID 161317669
14-hydroxydotriacont-20-enoic acid
CID 168720018
3-hydroxyhexadec-9-enal
CID 175100822

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-octadec-9-enyl]sulfinyltetradecan-4-ol?
The IUPAC name of 1-[(Z)-octadec-9-enyl]sulfinyltetradecan-4-ol (CID 139944928) is 1-[(Z)-octadec-9-enyl]sulfinyltetradecan-4-ol.
What is the SMILES notation for 1-[(Z)-octadec-9-enyl]sulfinyltetradecan-4-ol?
The canonical SMILES for 1-[(Z)-octadec-9-enyl]sulfinyltetradecan-4-ol is CCCCCCCC/C=C\CCCCCCCCS(=O)CCCC(O)CCCCCCCCCC.
What is the InChIKey of 1-[(Z)-octadec-9-enyl]sulfinyltetradecan-4-ol?
The InChIKey is IRDGZKRJHVOHNZ-NXVVXOECSA-N. The full InChI is InChI=1S/C32H64O2S/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-30-35(34)31-27-29-32(33)28-25-23-21-12-10-8-6-4-2/h15-16,32-33H,3-14,17-31H2,1-2H3/b16-15-.
What are the key properties of 1-[(Z)-octadec-9-enyl]sulfinyltetradecan-4-ol?
1-[(Z)-octadec-9-enyl]sulfinyltetradecan-4-ol has a molecular weight of 512.93 g/mol, XLogP of 10.44, 29 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-octadec-9-enyl]sulfinyltetradecan-4-ol is sourced from PubChem (CID 139944928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).