4-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)butan-1-ol

C14H28O3S — CID 65423160

IUPAC4-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)butan-1-ol
SMILESCC(C)C1CCC(C(O)CCCS(C)(=O)=O)CC1
InChIInChI=1S/C14H28O3S/c1-11(2)12-6-8-13(9-7-12)14(15)5-4-10-18(3,16)17/h11-15H,4-10H2,1-3H3
InChIKeyFOWTVDORVQDSPM-UHFFFAOYSA-N
MW276.44 g/mol
LogP2.63
Rot. Bonds6

About 4-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)butan-1-ol

4-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)butan-1-ol (PubChem CID 65423160) has the molecular formula C14H28O3S and a molecular weight of 276.44 g/mol. Its IUPAC name is 4-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)butan-1-ol.

Molecular Properties

Compound Name4-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)butan-1-ol
PubChem CID65423160
Molecular FormulaC14H28O3S
Molecular Weight276.44 g/mol
Exact Mass276.18
IUPAC Name4-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)butan-1-ol
SMILESCC(C)C1CCC(C(O)CCCS(C)(=O)=O)CC1
InChIInChI=1S/C14H28O3S/c1-11(2)12-6-8-13(9-7-12)14(15)5-4-10-18(3,16)17/h11-15H,4-10H2,1-3H3
InChIKeyFOWTVDORVQDSPM-UHFFFAOYSA-N
XLogP2.63
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)butan-1-ol?
The IUPAC name of 4-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)butan-1-ol (CID 65423160) is 4-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)butan-1-ol.
What is the SMILES notation for 4-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)butan-1-ol?
The canonical SMILES for 4-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)butan-1-ol is CC(C)C1CCC(C(O)CCCS(C)(=O)=O)CC1.
What is the InChIKey of 4-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)butan-1-ol?
The InChIKey is FOWTVDORVQDSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3S/c1-11(2)12-6-8-13(9-7-12)14(15)5-4-10-18(3,16)17/h11-15H,4-10H2,1-3H3.
What are the key properties of 4-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)butan-1-ol?
4-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)butan-1-ol has a molecular weight of 276.44 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)butan-1-ol is sourced from PubChem (CID 65423160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).