[(1R,2S,6R)-2-methyl-6-sulfanylcyclohex-3-en-1-yl]methanol

C8H14OS — CID 134979838

IUPAC[(1R,2S,6R)-2-methyl-6-sulfanylcyclohex-3-en-1-yl]methanol
SMILESC[C@H]1C=CC[C@@H](S)[C@H]1CO
InChIInChI=1S/C8H14OS/c1-6-3-2-4-8(10)7(6)5-9/h2-3,6-10H,4-5H2,1H3/t6-,7-,8+/m0/s1
InChIKeyDYESPICWPNDCDX-BIIVOSGPSA-N
MW158.27 g/mol
LogP1.49
Rot. Bonds1

About [(1R,2S,6R)-2-methyl-6-sulfanylcyclohex-3-en-1-yl]methanol

[(1R,2S,6R)-2-methyl-6-sulfanylcyclohex-3-en-1-yl]methanol (PubChem CID 134979838) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is [(1R,2S,6R)-2-methyl-6-sulfanylcyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,2S,6R)-2-methyl-6-sulfanylcyclohex-3-en-1-yl]methanol
PubChem CID134979838
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name[(1R,2S,6R)-2-methyl-6-sulfanylcyclohex-3-en-1-yl]methanol
SMILESC[C@H]1C=CC[C@@H](S)[C@H]1CO
InChIInChI=1S/C8H14OS/c1-6-3-2-4-8(10)7(6)5-9/h2-3,6-10H,4-5H2,1H3/t6-,7-,8+/m0/s1
InChIKeyDYESPICWPNDCDX-BIIVOSGPSA-N
XLogP1.49
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-Cyclohexene-1-methanol, 6-methyl-
CID 110637
1-Hydroxymethyl-2,5-dimethyl-3-cyclohexene
CID 129807081
[(1r,2r,6r)-2-Methyl-6-vinylcyclohex-3-en-1-yl]methanol
CID 129758370
3-Methyl-cyclohex-1-ene-4-methanol
CID 13062705
(6-Ethylcyclohex-3-en-1-yl)methanol
CID 21736053
[(1S,6R)-6-methylcyclohex-3-en-1-yl]methanol
CID 40488340
[(5R)-5-methylcyclohex-3-en-1-yl]methanol
CID 67556421
(5-Methylcyclohex-3-en-1-yl)methanol
CID 77312789
(4-Sulfanylcyclohex-3-en-1-yl)methanol
CID 88890819
2-[6-[(Tert-butyldisulfanyl)methyl]cyclohexa-2,4-dien-1-yl]ethanol
CID 123644583
2-[2-(Sulfanylmethyl)cyclohex-3-en-1-yl]ethanol
CID 123732381
[5-(Sulfanylmethyl)cyclohex-3-en-1-yl]methanediol
CID 123779908

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,6R)-2-methyl-6-sulfanylcyclohex-3-en-1-yl]methanol?
The IUPAC name of [(1R,2S,6R)-2-methyl-6-sulfanylcyclohex-3-en-1-yl]methanol (CID 134979838) is [(1R,2S,6R)-2-methyl-6-sulfanylcyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [(1R,2S,6R)-2-methyl-6-sulfanylcyclohex-3-en-1-yl]methanol?
The canonical SMILES for [(1R,2S,6R)-2-methyl-6-sulfanylcyclohex-3-en-1-yl]methanol is C[C@H]1C=CC[C@@H](S)[C@H]1CO.
What is the InChIKey of [(1R,2S,6R)-2-methyl-6-sulfanylcyclohex-3-en-1-yl]methanol?
The InChIKey is DYESPICWPNDCDX-BIIVOSGPSA-N. The full InChI is InChI=1S/C8H14OS/c1-6-3-2-4-8(10)7(6)5-9/h2-3,6-10H,4-5H2,1H3/t6-,7-,8+/m0/s1.
What are the key properties of [(1R,2S,6R)-2-methyl-6-sulfanylcyclohex-3-en-1-yl]methanol?
[(1R,2S,6R)-2-methyl-6-sulfanylcyclohex-3-en-1-yl]methanol has a molecular weight of 158.27 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,6R)-2-methyl-6-sulfanylcyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 134979838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).