4,4,6,6-tetramethyl-2-methylsulfanylcyclohex-2-en-1-ol

C11H20OS — CID 11830454

IUPAC4,4,6,6-tetramethyl-2-methylsulfanylcyclohex-2-en-1-ol
SMILESCSC1=CC(C)(C)CC(C)(C)C1O
InChIInChI=1S/C11H20OS/c1-10(2)6-8(13-5)9(12)11(3,4)7-10/h6,9,12H,7H2,1-5H3
InChIKeyVWTQBNLIBDXFKV-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.05
Rot. Bonds1

About 4,4,6,6-tetramethyl-2-methylsulfanylcyclohex-2-en-1-ol

4,4,6,6-tetramethyl-2-methylsulfanylcyclohex-2-en-1-ol (PubChem CID 11830454) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 4,4,6,6-tetramethyl-2-methylsulfanylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name4,4,6,6-tetramethyl-2-methylsulfanylcyclohex-2-en-1-ol
PubChem CID11830454
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name4,4,6,6-tetramethyl-2-methylsulfanylcyclohex-2-en-1-ol
SMILESCSC1=CC(C)(C)CC(C)(C)C1O
InChIInChI=1S/C11H20OS/c1-10(2)6-8(13-5)9(12)11(3,4)7-10/h6,9,12H,7H2,1-5H3
InChIKeyVWTQBNLIBDXFKV-UHFFFAOYSA-N
XLogP3.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4,6,6-tetramethyl-2-methylsulfanylcyclohex-2-en-1-ol with MolForge

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Related Compounds

(E,2R,4R)-1-(1,3-dithian-2-yl)-3,3-dimethylhept-5-ene-2,4-diol
CID 10978743
3-Butyltellanyl-5,5-dimethylcyclohex-2-en-1-ol
CID 12169687
5-(2-Hydroxypropan-2-yl)-2-methylsulfanylcyclohex-2-en-1-ol
CID 54480984
5,5-Dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-ol
CID 58718092
(3-Hydroxy-5,5-dimethylcyclohexen-1-yl)methyl-dimethylsulfanium
CID 58718098
4,4,6,6-Tetramethylcyclohex-2-en-1-ol
CID 86205783
5,5-Dimethyl-3-[(1-methylthiolan-1-yl)methyl]cyclohex-2-en-1-ol
CID 123301958
4-Methyl-1-(3-methylhexan-3-ylsulfanyl)hex-4-en-3-ol
CID 137545736
4-(4-Methylcyclohex-2-en-1-yl)sulfanylcyclohex-2-en-1-ol
CID 144225126
Dibutyl-[(3-hydroxy-5,5-dimethylcyclohexen-1-yl)methyl]sulfanium
CID 145778214
(8S)-2,2-dimethyl-6-thiabicyclo[3.2.1]oct-4-en-8-ol
CID 164127542
2,4,4-Trimethyl-3-methylsulfanylcyclohex-2-en-1-ol
CID 164167214

Frequently Asked Questions

What is the IUPAC name of 4,4,6,6-tetramethyl-2-methylsulfanylcyclohex-2-en-1-ol?
The IUPAC name of 4,4,6,6-tetramethyl-2-methylsulfanylcyclohex-2-en-1-ol (CID 11830454) is 4,4,6,6-tetramethyl-2-methylsulfanylcyclohex-2-en-1-ol.
What is the SMILES notation for 4,4,6,6-tetramethyl-2-methylsulfanylcyclohex-2-en-1-ol?
The canonical SMILES for 4,4,6,6-tetramethyl-2-methylsulfanylcyclohex-2-en-1-ol is CSC1=CC(C)(C)CC(C)(C)C1O.
What is the InChIKey of 4,4,6,6-tetramethyl-2-methylsulfanylcyclohex-2-en-1-ol?
The InChIKey is VWTQBNLIBDXFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-10(2)6-8(13-5)9(12)11(3,4)7-10/h6,9,12H,7H2,1-5H3.
What are the key properties of 4,4,6,6-tetramethyl-2-methylsulfanylcyclohex-2-en-1-ol?
4,4,6,6-tetramethyl-2-methylsulfanylcyclohex-2-en-1-ol has a molecular weight of 200.35 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,6-tetramethyl-2-methylsulfanylcyclohex-2-en-1-ol is sourced from PubChem (CID 11830454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).