1-(4-butylcyclohexyl)-4-ethylsulfonylbutan-1-ol

C16H32O3S — CID 115803759

IUPAC1-(4-butylcyclohexyl)-4-ethylsulfonylbutan-1-ol
SMILESCCCCC1CCC(C(O)CCCS(=O)(=O)CC)CC1
InChIInChI=1S/C16H32O3S/c1-3-5-7-14-9-11-15(12-10-14)16(17)8-6-13-20(18,19)4-2/h14-17H,3-13H2,1-2H3
InChIKeyWTFBZDQNXHZNMF-UHFFFAOYSA-N
MW304.50 g/mol
LogP3.56
Rot. Bonds9

About 1-(4-butylcyclohexyl)-4-ethylsulfonylbutan-1-ol

1-(4-butylcyclohexyl)-4-ethylsulfonylbutan-1-ol (PubChem CID 115803759) has the molecular formula C16H32O3S and a molecular weight of 304.50 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-4-ethylsulfonylbutan-1-ol.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-4-ethylsulfonylbutan-1-ol
PubChem CID115803759
Molecular FormulaC16H32O3S
Molecular Weight304.50 g/mol
Exact Mass304.21
IUPAC Name1-(4-butylcyclohexyl)-4-ethylsulfonylbutan-1-ol
SMILESCCCCC1CCC(C(O)CCCS(=O)(=O)CC)CC1
InChIInChI=1S/C16H32O3S/c1-3-5-7-14-9-11-15(12-10-14)16(17)8-6-13-20(18,19)4-2/h14-17H,3-13H2,1-2H3
InChIKeyWTFBZDQNXHZNMF-UHFFFAOYSA-N
XLogP3.56
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-4-propylsulfonylbutan-1-ol
CID 106729033
1-cycloheptyl-4-ethylsulfonylbutan-1-ol
CID 65399225
4-ethylsulfonyl-1-piperidin-4-ylbutan-1-ol
CID 80560105
1-(4-butylcyclohexyl)hex-5-yn-1-ol
CID 115831781
1-(4-ethylcyclohexyl)-4-methylsulfonylbutan-1-ol
CID 65392483
1-cyclopropylpentan-1-ol
CID 551238
1-(4-butylcyclohexyl)pent-4-yn-1-ol
CID 115799427
1-cyclopropyl-5-ethylsulfonylpentane-1,2-diol
CID 103456805
1-(4-butylcyclohexyl)-3-ethylheptan-1-ol
CID 114981328
1-cyclopropylheptan-1-ol
CID 10909821
1-cyclopropyltetradecan-1-ol
CID 63461268
1-cyclopropyltridecan-1-ol
CID 63410999

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-4-ethylsulfonylbutan-1-ol?
The IUPAC name of 1-(4-butylcyclohexyl)-4-ethylsulfonylbutan-1-ol (CID 115803759) is 1-(4-butylcyclohexyl)-4-ethylsulfonylbutan-1-ol.
What is the SMILES notation for 1-(4-butylcyclohexyl)-4-ethylsulfonylbutan-1-ol?
The canonical SMILES for 1-(4-butylcyclohexyl)-4-ethylsulfonylbutan-1-ol is CCCCC1CCC(C(O)CCCS(=O)(=O)CC)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-4-ethylsulfonylbutan-1-ol?
The InChIKey is WTFBZDQNXHZNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3S/c1-3-5-7-14-9-11-15(12-10-14)16(17)8-6-13-20(18,19)4-2/h14-17H,3-13H2,1-2H3.
What are the key properties of 1-(4-butylcyclohexyl)-4-ethylsulfonylbutan-1-ol?
1-(4-butylcyclohexyl)-4-ethylsulfonylbutan-1-ol has a molecular weight of 304.50 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-4-ethylsulfonylbutan-1-ol is sourced from PubChem (CID 115803759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).