1-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-ol

C12H24O3S — CID 62708268

IUPAC1-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)(CCS(C)(=O)=O)CC1
InChIInChI=1S/C12H24O3S/c1-10(2)11-4-6-12(13,7-5-11)8-9-16(3,14)15/h10-11,13H,4-9H2,1-3H3
InChIKeyKGTYRSJVAPPHGP-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.00
Rot. Bonds4

About 1-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-ol

1-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 62708268) has the molecular formula C12H24O3S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-ol
PubChem CID62708268
Molecular FormulaC12H24O3S
Molecular Weight248.39 g/mol
Exact Mass248.14
IUPAC Name1-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)(CCS(C)(=O)=O)CC1
InChIInChI=1S/C12H24O3S/c1-10(2)11-4-6-12(13,7-5-11)8-9-16(3,14)15/h10-11,13H,4-9H2,1-3H3
InChIKeyKGTYRSJVAPPHGP-UHFFFAOYSA-N
XLogP2.00
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-ol (CID 62708268) is 1-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)(CCS(C)(=O)=O)CC1.
What is the InChIKey of 1-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is KGTYRSJVAPPHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3S/c1-10(2)11-4-6-12(13,7-5-11)8-9-16(3,14)15/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 1-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-ol?
1-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 248.39 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 62708268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).