[3-(4,8-dimethylnona-3,7-dienyl)-3-methylthiiran-2-yl]methanol

C15H26OS — CID 175116540

IUPAC[3-(4,8-dimethylnona-3,7-dienyl)-3-methylthiiran-2-yl]methanol
SMILESCC(C)=CCCC(C)=CCCC1(C)SC1CO
InChIInChI=1S/C15H26OS/c1-12(2)7-5-8-13(3)9-6-10-15(4)14(11-16)17-15/h7,9,14,16H,5-6,8,10-11H2,1-4H3
InChIKeyAZSXNEKNIBLGNF-UHFFFAOYSA-N
MW254.44 g/mol
LogP4.33
Rot. Bonds7

About [3-(4,8-dimethylnona-3,7-dienyl)-3-methylthiiran-2-yl]methanol

[3-(4,8-dimethylnona-3,7-dienyl)-3-methylthiiran-2-yl]methanol (PubChem CID 175116540) has the molecular formula C15H26OS and a molecular weight of 254.44 g/mol. Its IUPAC name is [3-(4,8-dimethylnona-3,7-dienyl)-3-methylthiiran-2-yl]methanol.

Molecular Properties

Compound Name[3-(4,8-dimethylnona-3,7-dienyl)-3-methylthiiran-2-yl]methanol
PubChem CID175116540
Molecular FormulaC15H26OS
Molecular Weight254.44 g/mol
Exact Mass254.17
IUPAC Name[3-(4,8-dimethylnona-3,7-dienyl)-3-methylthiiran-2-yl]methanol
SMILESCC(C)=CCCC(C)=CCCC1(C)SC1CO
InChIInChI=1S/C15H26OS/c1-12(2)7-5-8-13(3)9-6-10-15(4)14(11-16)17-15/h7,9,14,16H,5-6,8,10-11H2,1-4H3
InChIKeyAZSXNEKNIBLGNF-UHFFFAOYSA-N
XLogP4.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze [3-(4,8-dimethylnona-3,7-dienyl)-3-methylthiiran-2-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(4,8-dimethylnona-3,7-dienyl)-3-methylthiiran-2-yl]methanol?
The IUPAC name of [3-(4,8-dimethylnona-3,7-dienyl)-3-methylthiiran-2-yl]methanol (CID 175116540) is [3-(4,8-dimethylnona-3,7-dienyl)-3-methylthiiran-2-yl]methanol.
What is the SMILES notation for [3-(4,8-dimethylnona-3,7-dienyl)-3-methylthiiran-2-yl]methanol?
The canonical SMILES for [3-(4,8-dimethylnona-3,7-dienyl)-3-methylthiiran-2-yl]methanol is CC(C)=CCCC(C)=CCCC1(C)SC1CO.
What is the InChIKey of [3-(4,8-dimethylnona-3,7-dienyl)-3-methylthiiran-2-yl]methanol?
The InChIKey is AZSXNEKNIBLGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26OS/c1-12(2)7-5-8-13(3)9-6-10-15(4)14(11-16)17-15/h7,9,14,16H,5-6,8,10-11H2,1-4H3.
What are the key properties of [3-(4,8-dimethylnona-3,7-dienyl)-3-methylthiiran-2-yl]methanol?
[3-(4,8-dimethylnona-3,7-dienyl)-3-methylthiiran-2-yl]methanol has a molecular weight of 254.44 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,8-dimethylnona-3,7-dienyl)-3-methylthiiran-2-yl]methanol is sourced from PubChem (CID 175116540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).