1-methylsulfinyloctadec-1-ene

C19H38OS — CID 54362991

IUPAC1-methylsulfinyloctadec-1-ene
SMILESCCCCCCCCCCCCCCCCC=CS(C)=O
InChIInChI=1S/C19H38OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(2)20/h18-19H,3-17H2,1-2H3
InChIKeyUNUUCQQLJRRFIB-UHFFFAOYSA-N
MW314.58 g/mol
LogP6.75
Rot. Bonds16

About 1-methylsulfinyloctadec-1-ene

1-methylsulfinyloctadec-1-ene (PubChem CID 54362991) has the molecular formula C19H38OS and a molecular weight of 314.58 g/mol. Its IUPAC name is 1-methylsulfinyloctadec-1-ene.

Molecular Properties

Compound Name1-methylsulfinyloctadec-1-ene
PubChem CID54362991
Molecular FormulaC19H38OS
Molecular Weight314.58 g/mol
Exact Mass314.26
IUPAC Name1-methylsulfinyloctadec-1-ene
SMILESCCCCCCCCCCCCCCCCC=CS(C)=O
InChIInChI=1S/C19H38OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(2)20/h18-19H,3-17H2,1-2H3
InChIKeyUNUUCQQLJRRFIB-UHFFFAOYSA-N
XLogP6.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.58
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methylsulfinyloctadec-1-ene 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

(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(Z)-heptacos-11-ene
CID 56936074

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfinyloctadec-1-ene?
The IUPAC name of 1-methylsulfinyloctadec-1-ene (CID 54362991) is 1-methylsulfinyloctadec-1-ene.
What is the SMILES notation for 1-methylsulfinyloctadec-1-ene?
The canonical SMILES for 1-methylsulfinyloctadec-1-ene is CCCCCCCCCCCCCCCCC=CS(C)=O.
What is the InChIKey of 1-methylsulfinyloctadec-1-ene?
The InChIKey is UNUUCQQLJRRFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(2)20/h18-19H,3-17H2,1-2H3.
What are the key properties of 1-methylsulfinyloctadec-1-ene?
1-methylsulfinyloctadec-1-ene has a molecular weight of 314.58 g/mol, XLogP of 6.75, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfinyloctadec-1-ene is sourced from PubChem (CID 54362991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).