3,7-dimethyl-3-methylsulfanyloct-6-en-1-ol

C11H22OS — CID 14759793

IUPAC3,7-dimethyl-3-methylsulfanyloct-6-en-1-ol
SMILESCSC(C)(CCO)CCC=C(C)C
InChIInChI=1S/C11H22OS/c1-10(2)6-5-7-11(3,13-4)8-9-12/h6,12H,5,7-9H2,1-4H3
InChIKeyYNALMILETIXCGO-UHFFFAOYSA-N
MW202.36 g/mol
LogP3.24
Rot. Bonds6

About 3,7-dimethyl-3-methylsulfanyloct-6-en-1-ol

3,7-dimethyl-3-methylsulfanyloct-6-en-1-ol (PubChem CID 14759793) has the molecular formula C11H22OS and a molecular weight of 202.36 g/mol. Its IUPAC name is 3,7-dimethyl-3-methylsulfanyloct-6-en-1-ol.

Molecular Properties

Compound Name3,7-dimethyl-3-methylsulfanyloct-6-en-1-ol
PubChem CID14759793
Molecular FormulaC11H22OS
Molecular Weight202.36 g/mol
Exact Mass202.14
IUPAC Name3,7-dimethyl-3-methylsulfanyloct-6-en-1-ol
SMILESCSC(C)(CCO)CCC=C(C)C
InChIInChI=1S/C11H22OS/c1-10(2)6-5-7-11(3,13-4)8-9-12/h6,12H,5,7-9H2,1-4H3
InChIKeyYNALMILETIXCGO-UHFFFAOYSA-N
XLogP3.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,7-dimethyl-3-methylsulfanyloct-6-en-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

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-3-methylsulfanyloct-6-en-1-ol?
The IUPAC name of 3,7-dimethyl-3-methylsulfanyloct-6-en-1-ol (CID 14759793) is 3,7-dimethyl-3-methylsulfanyloct-6-en-1-ol.
What is the SMILES notation for 3,7-dimethyl-3-methylsulfanyloct-6-en-1-ol?
The canonical SMILES for 3,7-dimethyl-3-methylsulfanyloct-6-en-1-ol is CSC(C)(CCO)CCC=C(C)C.
What is the InChIKey of 3,7-dimethyl-3-methylsulfanyloct-6-en-1-ol?
The InChIKey is YNALMILETIXCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OS/c1-10(2)6-5-7-11(3,13-4)8-9-12/h6,12H,5,7-9H2,1-4H3.
What are the key properties of 3,7-dimethyl-3-methylsulfanyloct-6-en-1-ol?
3,7-dimethyl-3-methylsulfanyloct-6-en-1-ol has a molecular weight of 202.36 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-3-methylsulfanyloct-6-en-1-ol is sourced from PubChem (CID 14759793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).