1-(3,4-dimethylcyclohexyl)-2-ethylsulfanylethanol

C12H24OS — CID 65131100

IUPAC1-(3,4-dimethylcyclohexyl)-2-ethylsulfanylethanol
SMILESCCSCC(O)C1CCC(C)C(C)C1
InChIInChI=1S/C12H24OS/c1-4-14-8-12(13)11-6-5-9(2)10(3)7-11/h9-13H,4-8H2,1-3H3
InChIKeyOXWZVNAHTFXCBW-UHFFFAOYSA-N
MW216.39 g/mol
LogP3.17
Rot. Bonds4

About 1-(3,4-dimethylcyclohexyl)-2-ethylsulfanylethanol

1-(3,4-dimethylcyclohexyl)-2-ethylsulfanylethanol (PubChem CID 65131100) has the molecular formula C12H24OS and a molecular weight of 216.39 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-2-ethylsulfanylethanol.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-2-ethylsulfanylethanol
PubChem CID65131100
Molecular FormulaC12H24OS
Molecular Weight216.39 g/mol
Exact Mass216.15
IUPAC Name1-(3,4-dimethylcyclohexyl)-2-ethylsulfanylethanol
SMILESCCSCC(O)C1CCC(C)C(C)C1
InChIInChI=1S/C12H24OS/c1-4-14-8-12(13)11-6-5-9(2)10(3)7-11/h9-13H,4-8H2,1-3H3
InChIKeyOXWZVNAHTFXCBW-UHFFFAOYSA-N
XLogP3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-2-ethylsulfanylethanol?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-2-ethylsulfanylethanol (CID 65131100) is 1-(3,4-dimethylcyclohexyl)-2-ethylsulfanylethanol.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-2-ethylsulfanylethanol?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-2-ethylsulfanylethanol is CCSCC(O)C1CCC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-2-ethylsulfanylethanol?
The InChIKey is OXWZVNAHTFXCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OS/c1-4-14-8-12(13)11-6-5-9(2)10(3)7-11/h9-13H,4-8H2,1-3H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-2-ethylsulfanylethanol?
1-(3,4-dimethylcyclohexyl)-2-ethylsulfanylethanol has a molecular weight of 216.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-2-ethylsulfanylethanol is sourced from PubChem (CID 65131100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).