1-(3-methylcyclohexyl)sulfanylbutan-2-ol

C11H22OS — CID 62722080

IUPAC1-(3-methylcyclohexyl)sulfanylbutan-2-ol
SMILESCCC(O)CSC1CCCC(C)C1
InChIInChI=1S/C11H22OS/c1-3-10(12)8-13-11-6-4-5-9(2)7-11/h9-12H,3-8H2,1-2H3
InChIKeyQTBUFVRGSMAZFH-UHFFFAOYSA-N
MW202.36 g/mol
LogP3.07
Rot. Bonds4

About 1-(3-methylcyclohexyl)sulfanylbutan-2-ol

1-(3-methylcyclohexyl)sulfanylbutan-2-ol (PubChem CID 62722080) has the molecular formula C11H22OS and a molecular weight of 202.36 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)sulfanylbutan-2-ol.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)sulfanylbutan-2-ol
PubChem CID62722080
Molecular FormulaC11H22OS
Molecular Weight202.36 g/mol
Exact Mass202.14
IUPAC Name1-(3-methylcyclohexyl)sulfanylbutan-2-ol
SMILESCCC(O)CSC1CCCC(C)C1
InChIInChI=1S/C11H22OS/c1-3-10(12)8-13-11-6-4-5-9(2)7-11/h9-12H,3-8H2,1-2H3
InChIKeyQTBUFVRGSMAZFH-UHFFFAOYSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)sulfanylbutan-2-ol?
The IUPAC name of 1-(3-methylcyclohexyl)sulfanylbutan-2-ol (CID 62722080) is 1-(3-methylcyclohexyl)sulfanylbutan-2-ol.
What is the SMILES notation for 1-(3-methylcyclohexyl)sulfanylbutan-2-ol?
The canonical SMILES for 1-(3-methylcyclohexyl)sulfanylbutan-2-ol is CCC(O)CSC1CCCC(C)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)sulfanylbutan-2-ol?
The InChIKey is QTBUFVRGSMAZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OS/c1-3-10(12)8-13-11-6-4-5-9(2)7-11/h9-12H,3-8H2,1-2H3.
What are the key properties of 1-(3-methylcyclohexyl)sulfanylbutan-2-ol?
1-(3-methylcyclohexyl)sulfanylbutan-2-ol has a molecular weight of 202.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)sulfanylbutan-2-ol is sourced from PubChem (CID 62722080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).