1-(cyclohexen-1-yl)-5-ethylsulfonylpentan-2-ol

C13H24O3S — CID 116660193

IUPAC1-(cyclohexen-1-yl)-5-ethylsulfonylpentan-2-ol
SMILESCCS(=O)(=O)CCCC(O)CC1=CCCCC1
InChIInChI=1S/C13H24O3S/c1-2-17(15,16)10-6-9-13(14)11-12-7-4-3-5-8-12/h7,13-14H,2-6,8-11H2,1H3
InChIKeySXFIGYOCMAZWPK-UHFFFAOYSA-N
MW260.40 g/mol
LogP2.45
Rot. Bonds7

About 1-(cyclohexen-1-yl)-5-ethylsulfonylpentan-2-ol

1-(cyclohexen-1-yl)-5-ethylsulfonylpentan-2-ol (PubChem CID 116660193) has the molecular formula C13H24O3S and a molecular weight of 260.40 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-5-ethylsulfonylpentan-2-ol.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-5-ethylsulfonylpentan-2-ol
PubChem CID116660193
Molecular FormulaC13H24O3S
Molecular Weight260.40 g/mol
Exact Mass260.14
IUPAC Name1-(cyclohexen-1-yl)-5-ethylsulfonylpentan-2-ol
SMILESCCS(=O)(=O)CCCC(O)CC1=CCCCC1
InChIInChI=1S/C13H24O3S/c1-2-17(15,16)10-6-9-13(14)11-12-7-4-3-5-8-12/h7,13-14H,2-6,8-11H2,1H3
InChIKeySXFIGYOCMAZWPK-UHFFFAOYSA-N
XLogP2.45
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(cyclohexen-1-yl)hex-5-yn-2-ol
CID 116660119
1-(cyclohexen-1-yl)-4-methylpentan-2-ol
CID 12869932
1-(cyclohexen-1-yl)-2-deuteriopropan-2-ol
CID 12622752
1-(cyclohexen-1-yl)-3-methylhexan-2-ol
CID 107893039
1-(2,6-dichlorophenyl)-5-ethylsulfonylpentan-2-ol
CID 65095539
1-(cyclohepten-1-yl)-4-ethylsulfonylbutan-1-one
CID 103450590
ethane;1-(2-methylpentyl)cyclohexene
CID 144539810
3-(cyclohexen-1-yl)-2-methylpropanoic acid
CID 54053706
1-(cyclohexen-1-yl)dodecan-2-amine
CID 116661293
1-ethylsulfonylnonan-4-ol
CID 65149246
1-chloro-7-ethylsulfonylheptan-4-ol
CID 66047552
5-ethylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol
CID 65095838

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-5-ethylsulfonylpentan-2-ol?
The IUPAC name of 1-(cyclohexen-1-yl)-5-ethylsulfonylpentan-2-ol (CID 116660193) is 1-(cyclohexen-1-yl)-5-ethylsulfonylpentan-2-ol.
What is the SMILES notation for 1-(cyclohexen-1-yl)-5-ethylsulfonylpentan-2-ol?
The canonical SMILES for 1-(cyclohexen-1-yl)-5-ethylsulfonylpentan-2-ol is CCS(=O)(=O)CCCC(O)CC1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-5-ethylsulfonylpentan-2-ol?
The InChIKey is SXFIGYOCMAZWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3S/c1-2-17(15,16)10-6-9-13(14)11-12-7-4-3-5-8-12/h7,13-14H,2-6,8-11H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-5-ethylsulfonylpentan-2-ol?
1-(cyclohexen-1-yl)-5-ethylsulfonylpentan-2-ol has a molecular weight of 260.40 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-5-ethylsulfonylpentan-2-ol is sourced from PubChem (CID 116660193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).