2,2-dimethyl-5-sulfanylcyclohexan-1-ol

C8H16OS — CID 144679012

IUPAC2,2-dimethyl-5-sulfanylcyclohexan-1-ol
SMILESCC1(C)CCC(S)CC1O
InChIInChI=1S/C8H16OS/c1-8(2)4-3-6(10)5-7(8)9/h6-7,9-10H,3-5H2,1-2H3
InChIKeyBOVFFKNJRGITNB-UHFFFAOYSA-N
MW160.28 g/mol
LogP1.86
Rot. Bonds

About 2,2-dimethyl-5-sulfanylcyclohexan-1-ol

2,2-dimethyl-5-sulfanylcyclohexan-1-ol (PubChem CID 144679012) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 2,2-dimethyl-5-sulfanylcyclohexan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-5-sulfanylcyclohexan-1-ol
PubChem CID144679012
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name2,2-dimethyl-5-sulfanylcyclohexan-1-ol
SMILESCC1(C)CCC(S)CC1O
InChIInChI=1S/C8H16OS/c1-8(2)4-3-6(10)5-7(8)9/h6-7,9-10H,3-5H2,1-2H3
InChIKeyBOVFFKNJRGITNB-UHFFFAOYSA-N
XLogP1.86
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2,2-dimethylcyclohexan-1-ol;hydrochloride
CID 89158271
cis-(1S,5R)-2,2,5-trimethylcyclopentan-1-ol
CID 101036298
2,2-dimethylcyclohexan-1-ol
CID 557637
5-(4-chlorophenyl)-2,2-dimethylcyclohexan-1-ol
CID 23373017
3,3-dimethylcyclopentane-1,2-diol
CID 22245615
trans-(1R,5R)-5-(1,3-dihydroisoindol-2-yl)-2,2-dimethylcyclohexan-1-ol
CID 123510239
5,5-dimethylbicyclo[4.1.0]heptan-2-ol
CID 11116155
1,5,5,6-tetramethylcyclohexane-1,2-diol
CID 130145073
(2R)-1-methylcyclobutane-1,2-diol
CID 130694777
3-ethyl-2,2,4,4-tetramethylcyclohexan-1-ol
CID 142000591
(2S)-1,1,2-trimethylcyclobutane
CID 59954523
2,2,7,7-tetramethylcyclooctan-1-ol
CID 130126588

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-sulfanylcyclohexan-1-ol?
The IUPAC name of 2,2-dimethyl-5-sulfanylcyclohexan-1-ol (CID 144679012) is 2,2-dimethyl-5-sulfanylcyclohexan-1-ol.
What is the SMILES notation for 2,2-dimethyl-5-sulfanylcyclohexan-1-ol?
The canonical SMILES for 2,2-dimethyl-5-sulfanylcyclohexan-1-ol is CC1(C)CCC(S)CC1O.
What is the InChIKey of 2,2-dimethyl-5-sulfanylcyclohexan-1-ol?
The InChIKey is BOVFFKNJRGITNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-8(2)4-3-6(10)5-7(8)9/h6-7,9-10H,3-5H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-sulfanylcyclohexan-1-ol?
2,2-dimethyl-5-sulfanylcyclohexan-1-ol has a molecular weight of 160.28 g/mol, XLogP of 1.86, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-sulfanylcyclohexan-1-ol is sourced from PubChem (CID 144679012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).