2-[6-(sulfanylmethyl)cyclohex-2-en-1-yl]ethanol

C9H16OS — CID 163865445

IUPAC2-[6-(sulfanylmethyl)cyclohex-2-en-1-yl]ethanol
SMILESOCCC1C=CCCC1CS
InChIInChI=1S/C9H16OS/c10-6-5-8-3-1-2-4-9(8)7-11/h1,3,8-11H,2,4-7H2
InChIKeyPGFICWDBHLNKJY-UHFFFAOYSA-N
MW172.29 g/mol
LogP1.88
Rot. Bonds3

About 2-[6-(sulfanylmethyl)cyclohex-2-en-1-yl]ethanol

2-[6-(sulfanylmethyl)cyclohex-2-en-1-yl]ethanol (PubChem CID 163865445) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 2-[6-(sulfanylmethyl)cyclohex-2-en-1-yl]ethanol.

Molecular Properties

Compound Name2-[6-(sulfanylmethyl)cyclohex-2-en-1-yl]ethanol
PubChem CID163865445
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name2-[6-(sulfanylmethyl)cyclohex-2-en-1-yl]ethanol
SMILESOCCC1C=CCCC1CS
InChIInChI=1S/C9H16OS/c10-6-5-8-3-1-2-4-9(8)7-11/h1,3,8-11H,2,4-7H2
InChIKeyPGFICWDBHLNKJY-UHFFFAOYSA-N
XLogP1.88
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 51.88
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-(Cyclohex-3-en-1-yl)butan-1-ol
CID 129744176
3-Cyclohexene-1-propanol
CID 556375
5-Mercaptobicyclo[4.1.0]hept-3-ene-2-methanol
CID 129851428
[(1R,2S,6R)-2-methyl-6-sulfanylcyclohex-3-en-1-yl]methanol
CID 134979838
(E)-14-sulfanyltetradec-7-en-1-ol
CID 21676851
2-[2-(2-Hydroxyethyl)cyclohex-3-en-1-yl]ethanol
CID 20380131
2,3-Diethyl-2-sulfanyloctadec-9-en-1-ol
CID 53688833
3-[(1S)-cyclohex-3-en-1-yl]propan-1-ol
CID 68213301
(Z)-3-cyclohex-3-en-1-ylnon-5-en-1-ol
CID 68213342
(Z)-2,3-diethyl-2-sulfanyloctadec-9-en-1-ol
CID 88823682
(2E)-4,11-dimethyl-5-(sulfanylmethyl)tetradeca-2,13-dien-6-ol
CID 89038833
4-(4-Methylcyclohex-3-en-1-yl)-2,4-bis(sulfanyl)pentan-1-ol
CID 91442794

Frequently Asked Questions

What is the IUPAC name of 2-[6-(sulfanylmethyl)cyclohex-2-en-1-yl]ethanol?
The IUPAC name of 2-[6-(sulfanylmethyl)cyclohex-2-en-1-yl]ethanol (CID 163865445) is 2-[6-(sulfanylmethyl)cyclohex-2-en-1-yl]ethanol.
What is the SMILES notation for 2-[6-(sulfanylmethyl)cyclohex-2-en-1-yl]ethanol?
The canonical SMILES for 2-[6-(sulfanylmethyl)cyclohex-2-en-1-yl]ethanol is OCCC1C=CCCC1CS.
What is the InChIKey of 2-[6-(sulfanylmethyl)cyclohex-2-en-1-yl]ethanol?
The InChIKey is PGFICWDBHLNKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c10-6-5-8-3-1-2-4-9(8)7-11/h1,3,8-11H,2,4-7H2.
What are the key properties of 2-[6-(sulfanylmethyl)cyclohex-2-en-1-yl]ethanol?
2-[6-(sulfanylmethyl)cyclohex-2-en-1-yl]ethanol has a molecular weight of 172.29 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(sulfanylmethyl)cyclohex-2-en-1-yl]ethanol is sourced from PubChem (CID 163865445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).