2-ethyl-1-sulfanylcyclohexan-1-ol

C8H16OS — CID 20564659

IUPAC2-ethyl-1-sulfanylcyclohexan-1-ol
SMILESCCC1CCCCC1(O)S
InChIInChI=1S/C8H16OS/c1-2-7-5-3-4-6-8(7,9)10/h7,9-10H,2-6H2,1H3
InChIKeyRCXFTYZQSWACMB-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.20
Rot. Bonds1

About 2-ethyl-1-sulfanylcyclohexan-1-ol

2-ethyl-1-sulfanylcyclohexan-1-ol (PubChem CID 20564659) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 2-ethyl-1-sulfanylcyclohexan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-sulfanylcyclohexan-1-ol
PubChem CID20564659
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name2-ethyl-1-sulfanylcyclohexan-1-ol
SMILESCCC1CCCCC1(O)S
InChIInChI=1S/C8H16OS/c1-2-7-5-3-4-6-8(7,9)10/h7,9-10H,2-6H2,1H3
InChIKeyRCXFTYZQSWACMB-UHFFFAOYSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,2S)-1,2-diethylcyclohexan-1-ol
CID 86308413
1,2-diethylcycloheptane-1-thiol
CID 19850360
2-ethyl-1-prop-1-ynylcyclohexan-1-ol
CID 126977532
2-ethyl-1-(4-ethylcyclohexyl)cyclohexan-1-ol
CID 64748782
2-ethyl-1-(4-methylcyclohexyl)cyclohexan-1-ol
CID 64749951
2-ethyl-1-nonylcyclohexan-1-ol
CID 65149326
2-propylcyclohexane-1,1-diol
CID 19352764
alumane;1,2-diethylcyclopentan-1-ol
CID 174746701
2-(1,2-diethylcyclohexyl)propanedioic acid
CID 69475153
(2R)-2-ethylspiro[2.4]heptane
CID 147630807
2-ethyl-1-hydroxycyclopentane-1-sulfonic acid
CID 103574067
2-ethyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-ol
CID 65149543

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-sulfanylcyclohexan-1-ol?
The IUPAC name of 2-ethyl-1-sulfanylcyclohexan-1-ol (CID 20564659) is 2-ethyl-1-sulfanylcyclohexan-1-ol.
What is the SMILES notation for 2-ethyl-1-sulfanylcyclohexan-1-ol?
The canonical SMILES for 2-ethyl-1-sulfanylcyclohexan-1-ol is CCC1CCCCC1(O)S.
What is the InChIKey of 2-ethyl-1-sulfanylcyclohexan-1-ol?
The InChIKey is RCXFTYZQSWACMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-2-7-5-3-4-6-8(7,9)10/h7,9-10H,2-6H2,1H3.
What are the key properties of 2-ethyl-1-sulfanylcyclohexan-1-ol?
2-ethyl-1-sulfanylcyclohexan-1-ol has a molecular weight of 160.28 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-sulfanylcyclohexan-1-ol is sourced from PubChem (CID 20564659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).