4-methylsulfinylcyclohexan-1-ol

C7H14O2S — CID 154186505

IUPAC4-methylsulfinylcyclohexan-1-ol
SMILESCS(=O)C1CCC(O)CC1
InChIInChI=1S/C7H14O2S/c1-10(9)7-4-2-6(8)3-5-7/h6-8H,2-5H2,1H3
InChIKeyDKXSVZMIZBTWSB-UHFFFAOYSA-N
MW162.25 g/mol
LogP0.67
Rot. Bonds1

About 4-methylsulfinylcyclohexan-1-ol

4-methylsulfinylcyclohexan-1-ol (PubChem CID 154186505) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is 4-methylsulfinylcyclohexan-1-ol.

Molecular Properties

Compound Name4-methylsulfinylcyclohexan-1-ol
PubChem CID154186505
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name4-methylsulfinylcyclohexan-1-ol
SMILESCS(=O)C1CCC(O)CC1
InChIInChI=1S/C7H14O2S/c1-10(9)7-4-2-6(8)3-5-7/h6-8H,2-5H2,1H3
InChIKeyDKXSVZMIZBTWSB-UHFFFAOYSA-N
XLogP0.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfinylcyclohexan-1-ol?
The IUPAC name of 4-methylsulfinylcyclohexan-1-ol (CID 154186505) is 4-methylsulfinylcyclohexan-1-ol.
What is the SMILES notation for 4-methylsulfinylcyclohexan-1-ol?
The canonical SMILES for 4-methylsulfinylcyclohexan-1-ol is CS(=O)C1CCC(O)CC1.
What is the InChIKey of 4-methylsulfinylcyclohexan-1-ol?
The InChIKey is DKXSVZMIZBTWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2S/c1-10(9)7-4-2-6(8)3-5-7/h6-8H,2-5H2,1H3.
What are the key properties of 4-methylsulfinylcyclohexan-1-ol?
4-methylsulfinylcyclohexan-1-ol has a molecular weight of 162.25 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfinylcyclohexan-1-ol is sourced from PubChem (CID 154186505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).