2-(2-hydroxyethylsulfanyl)cyclohexan-1-ol

C8H16O2S — CID 557221

IUPAC2-(2-hydroxyethylsulfanyl)cyclohexan-1-ol
SMILESOCCSC1CCCCC1O
InChIInChI=1S/C8H16O2S/c9-5-6-11-8-4-2-1-3-7(8)10/h7-10H,1-6H2
InChIKeyAVPZUKGXTUBAQQ-UHFFFAOYSA-N
MW176.28 g/mol
LogP1.02
Rot. Bonds3

About 2-(2-hydroxyethylsulfanyl)cyclohexan-1-ol

2-(2-hydroxyethylsulfanyl)cyclohexan-1-ol (PubChem CID 557221) has the molecular formula C8H16O2S and a molecular weight of 176.28 g/mol. Its IUPAC name is 2-(2-hydroxyethylsulfanyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(2-hydroxyethylsulfanyl)cyclohexan-1-ol
PubChem CID557221
Molecular FormulaC8H16O2S
Molecular Weight176.28 g/mol
Exact Mass176.09
IUPAC Name2-(2-hydroxyethylsulfanyl)cyclohexan-1-ol
SMILESOCCSC1CCCCC1O
InChIInChI=1S/C8H16O2S/c9-5-6-11-8-4-2-1-3-7(8)10/h7-10H,1-6H2
InChIKeyAVPZUKGXTUBAQQ-UHFFFAOYSA-N
XLogP1.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylsulfanyl)cyclohexan-1-ol?
The IUPAC name of 2-(2-hydroxyethylsulfanyl)cyclohexan-1-ol (CID 557221) is 2-(2-hydroxyethylsulfanyl)cyclohexan-1-ol.
What is the SMILES notation for 2-(2-hydroxyethylsulfanyl)cyclohexan-1-ol?
The canonical SMILES for 2-(2-hydroxyethylsulfanyl)cyclohexan-1-ol is OCCSC1CCCCC1O.
What is the InChIKey of 2-(2-hydroxyethylsulfanyl)cyclohexan-1-ol?
The InChIKey is AVPZUKGXTUBAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2S/c9-5-6-11-8-4-2-1-3-7(8)10/h7-10H,1-6H2.
What are the key properties of 2-(2-hydroxyethylsulfanyl)cyclohexan-1-ol?
2-(2-hydroxyethylsulfanyl)cyclohexan-1-ol has a molecular weight of 176.28 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylsulfanyl)cyclohexan-1-ol is sourced from PubChem (CID 557221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).