1-cycloheptyl-2-ethylsulfanylethanol

C11H22OS — CID 82931500

IUPAC1-cycloheptyl-2-ethylsulfanylethanol
SMILESCCSCC(O)C1CCCCCC1
InChIInChI=1S/C11H22OS/c1-2-13-9-11(12)10-7-5-3-4-6-8-10/h10-12H,2-9H2,1H3
InChIKeyKJVLJYMQCIAJSQ-UHFFFAOYSA-N
MW202.36 g/mol
LogP3.07
Rot. Bonds4

About 1-cycloheptyl-2-ethylsulfanylethanol

1-cycloheptyl-2-ethylsulfanylethanol (PubChem CID 82931500) has the molecular formula C11H22OS and a molecular weight of 202.36 g/mol. Its IUPAC name is 1-cycloheptyl-2-ethylsulfanylethanol.

Molecular Properties

Compound Name1-cycloheptyl-2-ethylsulfanylethanol
PubChem CID82931500
Molecular FormulaC11H22OS
Molecular Weight202.36 g/mol
Exact Mass202.14
IUPAC Name1-cycloheptyl-2-ethylsulfanylethanol
SMILESCCSCC(O)C1CCCCCC1
InChIInChI=1S/C11H22OS/c1-2-13-9-11(12)10-7-5-3-4-6-8-10/h10-12H,2-9H2,1H3
InChIKeyKJVLJYMQCIAJSQ-UHFFFAOYSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethylsulfanyl-1-(4-methylcyclohexyl)ethanol
CID 65131092
(1R)-1-cyclopentylpropan-1-ol;sulfane
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(1R)-1-cyclohexylethane-1,2-diol
CID 11789331
2-cyclohexylsulfanyl-1-cyclopropylethanol
CID 65139988
(1S)-1-cyclopropyl-2-methylsulfanylethanol
CID 89329968
(3-cyclohexyl-3-hydroxypropyl)-ethyl-dimethylazanium
CID 155634166
1-cycloheptyl-3-methylsulfanylpropan-1-ol
CID 82928181
1-(4-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanol
CID 65135104
1-(oxan-4-yl)-2-propylsulfanylethanol
CID 65129416
1-cyclooctylundecan-1-ol
CID 80603651
1-cyclohexylpentane-1,4-diol
CID 11446772
(2S)-2-cyclooctylbutan-1-ol
CID 122210665

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-ethylsulfanylethanol?
The IUPAC name of 1-cycloheptyl-2-ethylsulfanylethanol (CID 82931500) is 1-cycloheptyl-2-ethylsulfanylethanol.
What is the SMILES notation for 1-cycloheptyl-2-ethylsulfanylethanol?
The canonical SMILES for 1-cycloheptyl-2-ethylsulfanylethanol is CCSCC(O)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-2-ethylsulfanylethanol?
The InChIKey is KJVLJYMQCIAJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OS/c1-2-13-9-11(12)10-7-5-3-4-6-8-10/h10-12H,2-9H2,1H3.
What are the key properties of 1-cycloheptyl-2-ethylsulfanylethanol?
1-cycloheptyl-2-ethylsulfanylethanol has a molecular weight of 202.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-ethylsulfanylethanol is sourced from PubChem (CID 82931500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).