1-(3-methylcyclohexyl)-2-(thian-4-yl)ethanol

C14H26OS — CID 105104218

IUPAC1-(3-methylcyclohexyl)-2-(thian-4-yl)ethanol
SMILESCC1CCCC(C(O)CC2CCSCC2)C1
InChIInChI=1S/C14H26OS/c1-11-3-2-4-13(9-11)14(15)10-12-5-7-16-8-6-12/h11-15H,2-10H2,1H3
InChIKeyIQSIUEWEUVIBSF-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.71
Rot. Bonds3

About 1-(3-methylcyclohexyl)-2-(thian-4-yl)ethanol

1-(3-methylcyclohexyl)-2-(thian-4-yl)ethanol (PubChem CID 105104218) has the molecular formula C14H26OS and a molecular weight of 242.43 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)-2-(thian-4-yl)ethanol.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)-2-(thian-4-yl)ethanol
PubChem CID105104218
Molecular FormulaC14H26OS
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name1-(3-methylcyclohexyl)-2-(thian-4-yl)ethanol
SMILESCC1CCCC(C(O)CC2CCSCC2)C1
InChIInChI=1S/C14H26OS/c1-11-3-2-4-13(9-11)14(15)10-12-5-7-16-8-6-12/h11-15H,2-10H2,1H3
InChIKeyIQSIUEWEUVIBSF-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

6-Ethyl-2,3-dimethylthian-4-ol
CID 3430060
6-fluoro-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-thiochromen-4-ol
CID 145832934
2-Methyl-octahydro-thiochromen-4-ol
CID 2827615
Cyclohexyl(1,3-dithian-2-yl)methanol
CID 12556860
(1S,2R,6S)-2-(1,3-dithian-2-yl)-6-[(1S)-1-hydroxy-2-methylpropyl]cyclohexan-1-ol
CID 14764451
(2S,3R)-1-(1,3-dithian-2-yl)-2-methylheptan-3-ol
CID 56945475
2-(Methylthiomethyl)cyclohexan-1-ol
CID 126972050
2,6-Bis(methylthiomethyl)cyclohexan-1-ol
CID 129773590
cis-(1R,2S)-2-(1,3-dithian-2-ylmethyl)cyclohexan-1-ol
CID 135038715
3-Fluoro-4-(thian-3-yl)butan-2-ol
CID 105446587
3,3-Difluoro-4-(thian-3-yl)butan-2-ol
CID 105464340
1-Tert-butylsulfanyl-3-(3,3-difluorocyclohexyl)propan-2-ol
CID 114224697

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)-2-(thian-4-yl)ethanol?
The IUPAC name of 1-(3-methylcyclohexyl)-2-(thian-4-yl)ethanol (CID 105104218) is 1-(3-methylcyclohexyl)-2-(thian-4-yl)ethanol.
What is the SMILES notation for 1-(3-methylcyclohexyl)-2-(thian-4-yl)ethanol?
The canonical SMILES for 1-(3-methylcyclohexyl)-2-(thian-4-yl)ethanol is CC1CCCC(C(O)CC2CCSCC2)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)-2-(thian-4-yl)ethanol?
The InChIKey is IQSIUEWEUVIBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26OS/c1-11-3-2-4-13(9-11)14(15)10-12-5-7-16-8-6-12/h11-15H,2-10H2,1H3.
What are the key properties of 1-(3-methylcyclohexyl)-2-(thian-4-yl)ethanol?
1-(3-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-(3-methylcyclohexyl)-2-(thian-4-yl)ethanol is sourced from PubChem (CID 105104218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).