2-[(E)-3-methylnon-6-enyl]sulfanylethanol

C12H24OS — CID 59324361

IUPAC2-[(E)-3-methylnon-6-enyl]sulfanylethanol
SMILESCC/C=C/CCC(C)CCSCCO
InChIInChI=1S/C12H24OS/c1-3-4-5-6-7-12(2)8-10-14-11-9-13/h4-5,12-13H,3,6-11H2,1-2H3/b5-4+
InChIKeyRHNQHTYRHQOGIV-SNAWJCMRSA-N
MW216.39 g/mol
LogP3.48
Rot. Bonds9

About 2-[(E)-3-methylnon-6-enyl]sulfanylethanol

2-[(E)-3-methylnon-6-enyl]sulfanylethanol (PubChem CID 59324361) has the molecular formula C12H24OS and a molecular weight of 216.39 g/mol. Its IUPAC name is 2-[(E)-3-methylnon-6-enyl]sulfanylethanol.

Molecular Properties

Compound Name2-[(E)-3-methylnon-6-enyl]sulfanylethanol
PubChem CID59324361
Molecular FormulaC12H24OS
Molecular Weight216.39 g/mol
Exact Mass216.15
IUPAC Name2-[(E)-3-methylnon-6-enyl]sulfanylethanol
SMILESCC/C=C/CCC(C)CCSCCO
InChIInChI=1S/C12H24OS/c1-3-4-5-6-7-12(2)8-10-14-11-9-13/h4-5,12-13H,3,6-11H2,1-2H3/b5-4+
InChIKeyRHNQHTYRHQOGIV-SNAWJCMRSA-N
XLogP3.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 53.48
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 2-[(E)-3-methylnon-6-enyl]sulfanylethanol 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

(2E)-3,7-dimethyl-6-(methylsulfanylmethyl)octa-2,7-dien-1-ol
CID 14090486
3-(6-Hydroxy-4-hexenyl)tetrahydrothiophene
CID 85611852
2-[(3S,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]sulfanylethanol
CID 166441704
(2E,8E)-5-[2-(2-hydroxyethylsulfanyl)ethyl]deca-2,8-diene-1,10-diol
CID 60089197
2-(3-Methylnon-6-enylsulfanyl)ethanol
CID 72255942
2-(2-Propylpent-4-enylsulfanyl)ethanol
CID 88473583
2-[4-(2,6,6-Trimethylcyclohex-3-en-1-yl)butan-2-ylsulfanyl]ethanol
CID 91458069
1-Cyclopent-2-en-1-yl-2-[dimethyl(methyl)-lambda4-sulfanyl]ethanol
CID 91475778
2-(5-methyl-2-propan-2-yl-2H-thiophen-5-yl)ethanol
CID 118437128
2-(2-But-1-en-2-ylhex-5-enylsulfanyl)ethanol
CID 126605295
2-Cyclohex-3-en-1-ylethyl-ethoxy-methylsulfanium
CID 142911511
Methane;3-methylnona-1,6-diene;2-(3-methylnon-6-enylsulfanyl)ethanol;2-sulfanylethanol
CID 158458349

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-methylnon-6-enyl]sulfanylethanol?
The IUPAC name of 2-[(E)-3-methylnon-6-enyl]sulfanylethanol (CID 59324361) is 2-[(E)-3-methylnon-6-enyl]sulfanylethanol.
What is the SMILES notation for 2-[(E)-3-methylnon-6-enyl]sulfanylethanol?
The canonical SMILES for 2-[(E)-3-methylnon-6-enyl]sulfanylethanol is CC/C=C/CCC(C)CCSCCO.
What is the InChIKey of 2-[(E)-3-methylnon-6-enyl]sulfanylethanol?
The InChIKey is RHNQHTYRHQOGIV-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H24OS/c1-3-4-5-6-7-12(2)8-10-14-11-9-13/h4-5,12-13H,3,6-11H2,1-2H3/b5-4+.
What are the key properties of 2-[(E)-3-methylnon-6-enyl]sulfanylethanol?
2-[(E)-3-methylnon-6-enyl]sulfanylethanol has a molecular weight of 216.39 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-methylnon-6-enyl]sulfanylethanol is sourced from PubChem (CID 59324361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).