4-ethylsulfonyl-1-(4-propylcyclohexyl)butan-1-ol

C15H30O3S — CID 65423901

IUPAC4-ethylsulfonyl-1-(4-propylcyclohexyl)butan-1-ol
SMILESCCCC1CCC(C(O)CCCS(=O)(=O)CC)CC1
InChIInChI=1S/C15H30O3S/c1-3-6-13-8-10-14(11-9-13)15(16)7-5-12-19(17,18)4-2/h13-16H,3-12H2,1-2H3
InChIKeyUALJOYBFXQRYFA-UHFFFAOYSA-N
MW290.47 g/mol
LogP3.17
Rot. Bonds8

About 4-ethylsulfonyl-1-(4-propylcyclohexyl)butan-1-ol

4-ethylsulfonyl-1-(4-propylcyclohexyl)butan-1-ol (PubChem CID 65423901) has the molecular formula C15H30O3S and a molecular weight of 290.47 g/mol. Its IUPAC name is 4-ethylsulfonyl-1-(4-propylcyclohexyl)butan-1-ol.

Molecular Properties

Compound Name4-ethylsulfonyl-1-(4-propylcyclohexyl)butan-1-ol
PubChem CID65423901
Molecular FormulaC15H30O3S
Molecular Weight290.47 g/mol
Exact Mass290.19
IUPAC Name4-ethylsulfonyl-1-(4-propylcyclohexyl)butan-1-ol
SMILESCCCC1CCC(C(O)CCCS(=O)(=O)CC)CC1
InChIInChI=1S/C15H30O3S/c1-3-6-13-8-10-14(11-9-13)15(16)7-5-12-19(17,18)4-2/h13-16H,3-12H2,1-2H3
InChIKeyUALJOYBFXQRYFA-UHFFFAOYSA-N
XLogP3.17
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 53.17
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-propylcyclohexyl)butan-1-ol?
The IUPAC name of 4-ethylsulfonyl-1-(4-propylcyclohexyl)butan-1-ol (CID 65423901) is 4-ethylsulfonyl-1-(4-propylcyclohexyl)butan-1-ol.
What is the SMILES notation for 4-ethylsulfonyl-1-(4-propylcyclohexyl)butan-1-ol?
The canonical SMILES for 4-ethylsulfonyl-1-(4-propylcyclohexyl)butan-1-ol is CCCC1CCC(C(O)CCCS(=O)(=O)CC)CC1.
What is the InChIKey of 4-ethylsulfonyl-1-(4-propylcyclohexyl)butan-1-ol?
The InChIKey is UALJOYBFXQRYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3S/c1-3-6-13-8-10-14(11-9-13)15(16)7-5-12-19(17,18)4-2/h13-16H,3-12H2,1-2H3.
What are the key properties of 4-ethylsulfonyl-1-(4-propylcyclohexyl)butan-1-ol?
4-ethylsulfonyl-1-(4-propylcyclohexyl)butan-1-ol has a molecular weight of 290.47 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1-(4-propylcyclohexyl)butan-1-ol is sourced from PubChem (CID 65423901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).