2-methyl-3-(3-methylsulfonylcyclohexyl)propan-1-ol

C11H22O3S — CID 69095318

IUPAC2-methyl-3-(3-methylsulfonylcyclohexyl)propan-1-ol
SMILESCC(CO)CC1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C11H22O3S/c1-9(8-12)6-10-4-3-5-11(7-10)15(2,13)14/h9-12H,3-8H2,1-2H3
InChIKeyTWCKBRVZRYBURA-UHFFFAOYSA-N
MW234.36 g/mol
LogP1.61
Rot. Bonds4

About 2-methyl-3-(3-methylsulfonylcyclohexyl)propan-1-ol

2-methyl-3-(3-methylsulfonylcyclohexyl)propan-1-ol (PubChem CID 69095318) has the molecular formula C11H22O3S and a molecular weight of 234.36 g/mol. Its IUPAC name is 2-methyl-3-(3-methylsulfonylcyclohexyl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(3-methylsulfonylcyclohexyl)propan-1-ol
PubChem CID69095318
Molecular FormulaC11H22O3S
Molecular Weight234.36 g/mol
Exact Mass234.13
IUPAC Name2-methyl-3-(3-methylsulfonylcyclohexyl)propan-1-ol
SMILESCC(CO)CC1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C11H22O3S/c1-9(8-12)6-10-4-3-5-11(7-10)15(2,13)14/h9-12H,3-8H2,1-2H3
InChIKeyTWCKBRVZRYBURA-UHFFFAOYSA-N
XLogP1.61
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methylsulfonylcyclohexyl)propan-1-ol?
The IUPAC name of 2-methyl-3-(3-methylsulfonylcyclohexyl)propan-1-ol (CID 69095318) is 2-methyl-3-(3-methylsulfonylcyclohexyl)propan-1-ol.
What is the SMILES notation for 2-methyl-3-(3-methylsulfonylcyclohexyl)propan-1-ol?
The canonical SMILES for 2-methyl-3-(3-methylsulfonylcyclohexyl)propan-1-ol is CC(CO)CC1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of 2-methyl-3-(3-methylsulfonylcyclohexyl)propan-1-ol?
The InChIKey is TWCKBRVZRYBURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3S/c1-9(8-12)6-10-4-3-5-11(7-10)15(2,13)14/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-methyl-3-(3-methylsulfonylcyclohexyl)propan-1-ol?
2-methyl-3-(3-methylsulfonylcyclohexyl)propan-1-ol has a molecular weight of 234.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methylsulfonylcyclohexyl)propan-1-ol is sourced from PubChem (CID 69095318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).