6,6-dimethyl-1-methylsulfanylcyclohexene

C9H16S — CID 169256378

IUPAC6,6-dimethyl-1-methylsulfanylcyclohexene
SMILESCSC1=CCCCC1(C)C
InChIInChI=1S/C9H16S/c1-9(2)7-5-4-6-8(9)10-3/h6H,4-5,7H2,1-3H3
InChIKeyWRFXFOBLSHXFIP-UHFFFAOYSA-N
MW156.29 g/mol
LogP3.44
Rot. Bonds1

About 6,6-dimethyl-1-methylsulfanylcyclohexene

6,6-dimethyl-1-methylsulfanylcyclohexene (PubChem CID 169256378) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is 6,6-dimethyl-1-methylsulfanylcyclohexene.

Molecular Properties

Compound Name6,6-dimethyl-1-methylsulfanylcyclohexene
PubChem CID169256378
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name6,6-dimethyl-1-methylsulfanylcyclohexene
SMILESCSC1=CCCCC1(C)C
InChIInChI=1S/C9H16S/c1-9(2)7-5-4-6-8(9)10-3/h6H,4-5,7H2,1-3H3
InChIKeyWRFXFOBLSHXFIP-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6,6-dimethyl-1-methylsulfanylcyclohexene 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

3-(Difluoromethyl)-3,6-dimethyl-6-methylsulfanylcyclohexene
CID 167163124
5,5-Dimethyl-1-(methylthio)-1-cyclohexene-3-thione
CID 12447336
(5S)-1,3,5-trimethyl-6-methylidene-5-(methylsulfanylmethyl)cyclohexa-1,3-diene
CID 15363517
1,3,5-Trimethyl-6-methylidene-5-[(methylsulfanyl)methyl]cyclohexa-1,3-diene
CID 71357380
(6S)-6-methyl-1-methylsulfanylcyclohexene
CID 5325876
(3R)-3-methyl-1-methylsulfanylcyclohexene
CID 5325877
3-Methyl-1-methylsulfanylcyclohexene
CID 13056373
6-Methyl-1-methylsulfanylcyclohexene
CID 13056375
3-Ethylsulfanyl-5,5-dimethylcyclohex-2-ene-1-thione
CID 12447337
CID 18430459
CID 18430459
(E)-1-(3,3-dimethylbutan-2-ylsulfanyl)-6,6-dimethylhept-2-ene
CID 20765243
CID 23187085
CID 23187085

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-methylsulfanylcyclohexene?
The IUPAC name of 6,6-dimethyl-1-methylsulfanylcyclohexene (CID 169256378) is 6,6-dimethyl-1-methylsulfanylcyclohexene.
What is the SMILES notation for 6,6-dimethyl-1-methylsulfanylcyclohexene?
The canonical SMILES for 6,6-dimethyl-1-methylsulfanylcyclohexene is CSC1=CCCCC1(C)C.
What is the InChIKey of 6,6-dimethyl-1-methylsulfanylcyclohexene?
The InChIKey is WRFXFOBLSHXFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S/c1-9(2)7-5-4-6-8(9)10-3/h6H,4-5,7H2,1-3H3.
What are the key properties of 6,6-dimethyl-1-methylsulfanylcyclohexene?
6,6-dimethyl-1-methylsulfanylcyclohexene has a molecular weight of 156.29 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-methylsulfanylcyclohexene is sourced from PubChem (CID 169256378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).