1-cyclohexyl-2-(2-cyclohexyl-2-hydroxyethyl)sulfanylethanol

C16H30O2S — CID 57043704

IUPAC1-cyclohexyl-2-(2-cyclohexyl-2-hydroxyethyl)sulfanylethanol
SMILESOC(CSCC(O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H30O2S/c17-15(13-7-3-1-4-8-13)11-19-12-16(18)14-9-5-2-6-10-14/h13-18H,1-12H2
InChIKeyBLGXMXRHBQAGEX-UHFFFAOYSA-N
MW286.48 g/mol
LogP3.60
Rot. Bonds6

About 1-cyclohexyl-2-(2-cyclohexyl-2-hydroxyethyl)sulfanylethanol

1-cyclohexyl-2-(2-cyclohexyl-2-hydroxyethyl)sulfanylethanol (PubChem CID 57043704) has the molecular formula C16H30O2S and a molecular weight of 286.48 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2-cyclohexyl-2-hydroxyethyl)sulfanylethanol.

Molecular Properties

Compound Name1-cyclohexyl-2-(2-cyclohexyl-2-hydroxyethyl)sulfanylethanol
PubChem CID57043704
Molecular FormulaC16H30O2S
Molecular Weight286.48 g/mol
Exact Mass286.20
IUPAC Name1-cyclohexyl-2-(2-cyclohexyl-2-hydroxyethyl)sulfanylethanol
SMILESOC(CSCC(O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H30O2S/c17-15(13-7-3-1-4-8-13)11-19-12-16(18)14-9-5-2-6-10-14/h13-18H,1-12H2
InChIKeyBLGXMXRHBQAGEX-UHFFFAOYSA-N
XLogP3.60
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.48
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2-cyclohexyl-2-hydroxyethyl)sulfanylethanol?
The IUPAC name of 1-cyclohexyl-2-(2-cyclohexyl-2-hydroxyethyl)sulfanylethanol (CID 57043704) is 1-cyclohexyl-2-(2-cyclohexyl-2-hydroxyethyl)sulfanylethanol.
What is the SMILES notation for 1-cyclohexyl-2-(2-cyclohexyl-2-hydroxyethyl)sulfanylethanol?
The canonical SMILES for 1-cyclohexyl-2-(2-cyclohexyl-2-hydroxyethyl)sulfanylethanol is OC(CSCC(O)C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(2-cyclohexyl-2-hydroxyethyl)sulfanylethanol?
The InChIKey is BLGXMXRHBQAGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2S/c17-15(13-7-3-1-4-8-13)11-19-12-16(18)14-9-5-2-6-10-14/h13-18H,1-12H2.
What are the key properties of 1-cyclohexyl-2-(2-cyclohexyl-2-hydroxyethyl)sulfanylethanol?
1-cyclohexyl-2-(2-cyclohexyl-2-hydroxyethyl)sulfanylethanol has a molecular weight of 286.48 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2-cyclohexyl-2-hydroxyethyl)sulfanylethanol is sourced from PubChem (CID 57043704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).