3,3,6,6-tetramethyl-1-methylsulfanylcyclohexene

C11H20S — CID 146385035

IUPAC3,3,6,6-tetramethyl-1-methylsulfanylcyclohexene
SMILESCSC1=CC(C)(C)CCC1(C)C
InChIInChI=1S/C11H20S/c1-10(2)6-7-11(3,4)9(8-10)12-5/h8H,6-7H2,1-5H3
InChIKeyVBEKZVPKTNQCCM-UHFFFAOYSA-N
MW184.35 g/mol
LogP4.08
Rot. Bonds1

About 3,3,6,6-tetramethyl-1-methylsulfanylcyclohexene

3,3,6,6-tetramethyl-1-methylsulfanylcyclohexene (PubChem CID 146385035) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is 3,3,6,6-tetramethyl-1-methylsulfanylcyclohexene.

Molecular Properties

Compound Name3,3,6,6-tetramethyl-1-methylsulfanylcyclohexene
PubChem CID146385035
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name3,3,6,6-tetramethyl-1-methylsulfanylcyclohexene
SMILESCSC1=CC(C)(C)CCC1(C)C
InChIInChI=1S/C11H20S/c1-10(2)6-7-11(3,4)9(8-10)12-5/h8H,6-7H2,1-5H3
InChIKeyVBEKZVPKTNQCCM-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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 3,3,6,6-tetramethyl-1-methylsulfanylcyclohexene?
The IUPAC name of 3,3,6,6-tetramethyl-1-methylsulfanylcyclohexene (CID 146385035) is 3,3,6,6-tetramethyl-1-methylsulfanylcyclohexene.
What is the SMILES notation for 3,3,6,6-tetramethyl-1-methylsulfanylcyclohexene?
The canonical SMILES for 3,3,6,6-tetramethyl-1-methylsulfanylcyclohexene is CSC1=CC(C)(C)CCC1(C)C.
What is the InChIKey of 3,3,6,6-tetramethyl-1-methylsulfanylcyclohexene?
The InChIKey is VBEKZVPKTNQCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S/c1-10(2)6-7-11(3,4)9(8-10)12-5/h8H,6-7H2,1-5H3.
What are the key properties of 3,3,6,6-tetramethyl-1-methylsulfanylcyclohexene?
3,3,6,6-tetramethyl-1-methylsulfanylcyclohexene has a molecular weight of 184.35 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,6-tetramethyl-1-methylsulfanylcyclohexene is sourced from PubChem (CID 146385035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).