[4-butyl-1-(3-methylsulfonylpropyl)cyclohexyl]methanol

C15H30O3S — CID 66024074

IUPAC[4-butyl-1-(3-methylsulfonylpropyl)cyclohexyl]methanol
SMILESCCCCC1CCC(CO)(CCCS(C)(=O)=O)CC1
InChIInChI=1S/C15H30O3S/c1-3-4-6-14-7-10-15(13-16,11-8-14)9-5-12-19(2,17)18/h14,16H,3-13H2,1-2H3
InChIKeyPRPYETIRTYCHQJ-UHFFFAOYSA-N
MW290.47 g/mol
LogP3.17
Rot. Bonds8

About [4-butyl-1-(3-methylsulfonylpropyl)cyclohexyl]methanol

[4-butyl-1-(3-methylsulfonylpropyl)cyclohexyl]methanol (PubChem CID 66024074) has the molecular formula C15H30O3S and a molecular weight of 290.47 g/mol. Its IUPAC name is [4-butyl-1-(3-methylsulfonylpropyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-butyl-1-(3-methylsulfonylpropyl)cyclohexyl]methanol
PubChem CID66024074
Molecular FormulaC15H30O3S
Molecular Weight290.47 g/mol
Exact Mass290.19
IUPAC Name[4-butyl-1-(3-methylsulfonylpropyl)cyclohexyl]methanol
SMILESCCCCC1CCC(CO)(CCCS(C)(=O)=O)CC1
InChIInChI=1S/C15H30O3S/c1-3-4-6-14-7-10-15(13-16,11-8-14)9-5-12-19(2,17)18/h14,16H,3-13H2,1-2H3
InChIKeyPRPYETIRTYCHQJ-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-butyl-1-(3-methylsulfonylpropyl)cyclohexyl]methanol?
The IUPAC name of [4-butyl-1-(3-methylsulfonylpropyl)cyclohexyl]methanol (CID 66024074) is [4-butyl-1-(3-methylsulfonylpropyl)cyclohexyl]methanol.
What is the SMILES notation for [4-butyl-1-(3-methylsulfonylpropyl)cyclohexyl]methanol?
The canonical SMILES for [4-butyl-1-(3-methylsulfonylpropyl)cyclohexyl]methanol is CCCCC1CCC(CO)(CCCS(C)(=O)=O)CC1.
What is the InChIKey of [4-butyl-1-(3-methylsulfonylpropyl)cyclohexyl]methanol?
The InChIKey is PRPYETIRTYCHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3S/c1-3-4-6-14-7-10-15(13-16,11-8-14)9-5-12-19(2,17)18/h14,16H,3-13H2,1-2H3.
What are the key properties of [4-butyl-1-(3-methylsulfonylpropyl)cyclohexyl]methanol?
[4-butyl-1-(3-methylsulfonylpropyl)cyclohexyl]methanol 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-butyl-1-(3-methylsulfonylpropyl)cyclohexyl]methanol is sourced from PubChem (CID 66024074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).