1-cycloheptyl-4-ethylsulfonylbutan-1-ol

C13H26O3S — CID 65399225

IUPAC1-cycloheptyl-4-ethylsulfonylbutan-1-ol
SMILESCCS(=O)(=O)CCCC(O)C1CCCCCC1
InChIInChI=1S/C13H26O3S/c1-2-17(15,16)11-7-10-13(14)12-8-5-3-4-6-9-12/h12-14H,2-11H2,1H3
InChIKeyIQTDONYBGDWXKZ-UHFFFAOYSA-N
MW262.41 g/mol
LogP2.53
Rot. Bonds6

About 1-cycloheptyl-4-ethylsulfonylbutan-1-ol

1-cycloheptyl-4-ethylsulfonylbutan-1-ol (PubChem CID 65399225) has the molecular formula C13H26O3S and a molecular weight of 262.41 g/mol. Its IUPAC name is 1-cycloheptyl-4-ethylsulfonylbutan-1-ol.

Molecular Properties

Compound Name1-cycloheptyl-4-ethylsulfonylbutan-1-ol
PubChem CID65399225
Molecular FormulaC13H26O3S
Molecular Weight262.41 g/mol
Exact Mass262.16
IUPAC Name1-cycloheptyl-4-ethylsulfonylbutan-1-ol
SMILESCCS(=O)(=O)CCCC(O)C1CCCCCC1
InChIInChI=1S/C13H26O3S/c1-2-17(15,16)11-7-10-13(14)12-8-5-3-4-6-9-12/h12-14H,2-11H2,1H3
InChIKeyIQTDONYBGDWXKZ-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-4-propylsulfonylbutan-1-ol
CID 106729033
4-ethylsulfonyl-1-piperidin-4-ylbutan-1-ol
CID 80560105
1-(4-butylcyclohexyl)-4-ethylsulfonylbutan-1-ol
CID 115803759
1-cyclooctylundecan-1-ol
CID 80603651
1-cyclopropyl-5-ethylsulfonylpentane-1,2-diol
CID 103456805
1-(2,3-dihydro-1H-inden-2-yl)-4-ethylsulfonylbutan-1-ol
CID 65410771
1-cyclooctyl-4-ethylsulfonyl-N-propylbutan-1-amine
CID 80611662
1-(4-ethylcyclohexyl)-4-methylsulfonylbutan-1-ol
CID 65392483
(1-bromo-4-propylsulfonylbutyl)cyclopentane
CID 106729203
1-cyclohexylheptane-1,7-diol
CID 67923944
1-cyclohexyldodecane-1,12-diol
CID 11161921
4-methylsulfonyl-1-piperidin-4-ylbutan-1-ol
CID 80560226

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-4-ethylsulfonylbutan-1-ol?
The IUPAC name of 1-cycloheptyl-4-ethylsulfonylbutan-1-ol (CID 65399225) is 1-cycloheptyl-4-ethylsulfonylbutan-1-ol.
What is the SMILES notation for 1-cycloheptyl-4-ethylsulfonylbutan-1-ol?
The canonical SMILES for 1-cycloheptyl-4-ethylsulfonylbutan-1-ol is CCS(=O)(=O)CCCC(O)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-4-ethylsulfonylbutan-1-ol?
The InChIKey is IQTDONYBGDWXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3S/c1-2-17(15,16)11-7-10-13(14)12-8-5-3-4-6-9-12/h12-14H,2-11H2,1H3.
What are the key properties of 1-cycloheptyl-4-ethylsulfonylbutan-1-ol?
1-cycloheptyl-4-ethylsulfonylbutan-1-ol has a molecular weight of 262.41 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-4-ethylsulfonylbutan-1-ol is sourced from PubChem (CID 65399225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).