4-ethylsulfonyl-1-(3-methylcyclohexyl)butan-1-ol

C13H26O3S — CID 65095587

IUPAC4-ethylsulfonyl-1-(3-methylcyclohexyl)butan-1-ol
SMILESCCS(=O)(=O)CCCC(O)C1CCCC(C)C1
InChIInChI=1S/C13H26O3S/c1-3-17(15,16)9-5-8-13(14)12-7-4-6-11(2)10-12/h11-14H,3-10H2,1-2H3
InChIKeyDOHDZTQQTJMZPB-UHFFFAOYSA-N
MW262.41 g/mol
LogP2.39
Rot. Bonds6

About 4-ethylsulfonyl-1-(3-methylcyclohexyl)butan-1-ol

4-ethylsulfonyl-1-(3-methylcyclohexyl)butan-1-ol (PubChem CID 65095587) has the molecular formula C13H26O3S and a molecular weight of 262.41 g/mol. Its IUPAC name is 4-ethylsulfonyl-1-(3-methylcyclohexyl)butan-1-ol.

Molecular Properties

Compound Name4-ethylsulfonyl-1-(3-methylcyclohexyl)butan-1-ol
PubChem CID65095587
Molecular FormulaC13H26O3S
Molecular Weight262.41 g/mol
Exact Mass262.16
IUPAC Name4-ethylsulfonyl-1-(3-methylcyclohexyl)butan-1-ol
SMILESCCS(=O)(=O)CCCC(O)C1CCCC(C)C1
InChIInChI=1S/C13H26O3S/c1-3-17(15,16)9-5-8-13(14)12-7-4-6-11(2)10-12/h11-14H,3-10H2,1-2H3
InChIKeyDOHDZTQQTJMZPB-UHFFFAOYSA-N
XLogP2.39
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1-(3-methylcyclohexyl)butan-1-ol?
The IUPAC name of 4-ethylsulfonyl-1-(3-methylcyclohexyl)butan-1-ol (CID 65095587) is 4-ethylsulfonyl-1-(3-methylcyclohexyl)butan-1-ol.
What is the SMILES notation for 4-ethylsulfonyl-1-(3-methylcyclohexyl)butan-1-ol?
The canonical SMILES for 4-ethylsulfonyl-1-(3-methylcyclohexyl)butan-1-ol is CCS(=O)(=O)CCCC(O)C1CCCC(C)C1.
What is the InChIKey of 4-ethylsulfonyl-1-(3-methylcyclohexyl)butan-1-ol?
The InChIKey is DOHDZTQQTJMZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3S/c1-3-17(15,16)9-5-8-13(14)12-7-4-6-11(2)10-12/h11-14H,3-10H2,1-2H3.
What are the key properties of 4-ethylsulfonyl-1-(3-methylcyclohexyl)butan-1-ol?
4-ethylsulfonyl-1-(3-methylcyclohexyl)butan-1-ol has a molecular weight of 262.41 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1-(3-methylcyclohexyl)butan-1-ol is sourced from PubChem (CID 65095587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).