1-(4-methylcyclohexyl)-2-(thian-4-yl)ethanol

C14H26OS — CID 105102503

IUPAC1-(4-methylcyclohexyl)-2-(thian-4-yl)ethanol
SMILESCC1CCC(C(O)CC2CCSCC2)CC1
InChIInChI=1S/C14H26OS/c1-11-2-4-13(5-3-11)14(15)10-12-6-8-16-9-7-12/h11-15H,2-10H2,1H3
InChIKeyKJUHIZCEYKLHRX-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.71
Rot. Bonds3

About 1-(4-methylcyclohexyl)-2-(thian-4-yl)ethanol

1-(4-methylcyclohexyl)-2-(thian-4-yl)ethanol (PubChem CID 105102503) has the molecular formula C14H26OS and a molecular weight of 242.43 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-2-(thian-4-yl)ethanol.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-2-(thian-4-yl)ethanol
PubChem CID105102503
Molecular FormulaC14H26OS
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name1-(4-methylcyclohexyl)-2-(thian-4-yl)ethanol
SMILESCC1CCC(C(O)CC2CCSCC2)CC1
InChIInChI=1S/C14H26OS/c1-11-2-4-13(5-3-11)14(15)10-12-6-8-16-9-7-12/h11-15H,2-10H2,1H3
InChIKeyKJUHIZCEYKLHRX-UHFFFAOYSA-N
XLogP3.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(thian-4-yl)ethane-1,2-diol
CID 117238988
1-(3-ethylcyclohexyl)-2-(thian-4-yl)ethanol
CID 105104403
[1-(4-methylcyclohexyl)-2-(thian-4-yl)ethyl]hydrazine
CID 105311924
3-methyl-1-(thian-4-yl)butan-2-ol
CID 105133542
1-cyclopropyl-3-(4-methylcyclohexyl)propan-1-ol
CID 64775324
1-cyclobutyl-2-cyclopropylethanol
CID 64986544
4-ethyl-1-(thian-4-yl)hexan-2-ol
CID 105122477
2-ethylsulfanyl-1-(4-methylcyclohexyl)ethanol
CID 65131092
5-methyl-1-(4-methylcyclohexyl)hexan-1-ol
CID 83158070
(2S)-1-(4-methylcyclohexyl)butan-2-ol
CID 67556364
2-(4-ethylphenyl)-1-(4-methylcyclohexyl)ethanol
CID 63410677
1-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105102501

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-2-(thian-4-yl)ethanol?
The IUPAC name of 1-(4-methylcyclohexyl)-2-(thian-4-yl)ethanol (CID 105102503) is 1-(4-methylcyclohexyl)-2-(thian-4-yl)ethanol.
What is the SMILES notation for 1-(4-methylcyclohexyl)-2-(thian-4-yl)ethanol?
The canonical SMILES for 1-(4-methylcyclohexyl)-2-(thian-4-yl)ethanol is CC1CCC(C(O)CC2CCSCC2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-2-(thian-4-yl)ethanol?
The InChIKey is KJUHIZCEYKLHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26OS/c1-11-2-4-13(5-3-11)14(15)10-12-6-8-16-9-7-12/h11-15H,2-10H2,1H3.
What are the key properties of 1-(4-methylcyclohexyl)-2-(thian-4-yl)ethanol?
1-(4-methylcyclohexyl)-2-(thian-4-yl)ethanol has a molecular weight of 242.43 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-2-(thian-4-yl)ethanol is sourced from PubChem (CID 105102503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).