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

C15H30O3S — CID 65424116

IUPAC4-ethylsulfonyl-1-(4-propan-2-ylcyclohexyl)butan-1-ol
SMILESCCS(=O)(=O)CCCC(O)C1CCC(C(C)C)CC1
InChIInChI=1S/C15H30O3S/c1-4-19(17,18)11-5-6-15(16)14-9-7-13(8-10-14)12(2)3/h12-16H,4-11H2,1-3H3
InChIKeyUIJXIAOUDHHNPB-UHFFFAOYSA-N
MW290.47 g/mol
LogP3.02
Rot. Bonds7

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

4-ethylsulfonyl-1-(4-propan-2-ylcyclohexyl)butan-1-ol (PubChem CID 65424116) has the molecular formula C15H30O3S and a molecular weight of 290.47 g/mol. Its IUPAC name is 4-ethylsulfonyl-1-(4-propan-2-ylcyclohexyl)butan-1-ol.

Molecular Properties

Compound Name4-ethylsulfonyl-1-(4-propan-2-ylcyclohexyl)butan-1-ol
PubChem CID65424116
Molecular FormulaC15H30O3S
Molecular Weight290.47 g/mol
Exact Mass290.19
IUPAC Name4-ethylsulfonyl-1-(4-propan-2-ylcyclohexyl)butan-1-ol
SMILESCCS(=O)(=O)CCCC(O)C1CCC(C(C)C)CC1
InChIInChI=1S/C15H30O3S/c1-4-19(17,18)11-5-6-15(16)14-9-7-13(8-10-14)12(2)3/h12-16H,4-11H2,1-3H3
InChIKeyUIJXIAOUDHHNPB-UHFFFAOYSA-N
XLogP3.02
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1-(4-propan-2-ylcyclohexyl)butan-1-ol?
The IUPAC name of 4-ethylsulfonyl-1-(4-propan-2-ylcyclohexyl)butan-1-ol (CID 65424116) is 4-ethylsulfonyl-1-(4-propan-2-ylcyclohexyl)butan-1-ol.
What is the SMILES notation for 4-ethylsulfonyl-1-(4-propan-2-ylcyclohexyl)butan-1-ol?
The canonical SMILES for 4-ethylsulfonyl-1-(4-propan-2-ylcyclohexyl)butan-1-ol is CCS(=O)(=O)CCCC(O)C1CCC(C(C)C)CC1.
What is the InChIKey of 4-ethylsulfonyl-1-(4-propan-2-ylcyclohexyl)butan-1-ol?
The InChIKey is UIJXIAOUDHHNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3S/c1-4-19(17,18)11-5-6-15(16)14-9-7-13(8-10-14)12(2)3/h12-16H,4-11H2,1-3H3.
What are the key properties of 4-ethylsulfonyl-1-(4-propan-2-ylcyclohexyl)butan-1-ol?
4-ethylsulfonyl-1-(4-propan-2-ylcyclohexyl)butan-1-ol has a molecular weight of 290.47 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1-(4-propan-2-ylcyclohexyl)butan-1-ol is sourced from PubChem (CID 65424116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).