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

C15H28OS — CID 105104403

IUPAC1-(3-ethylcyclohexyl)-2-(thian-4-yl)ethanol
SMILESCCC1CCCC(C(O)CC2CCSCC2)C1
InChIInChI=1S/C15H28OS/c1-2-12-4-3-5-14(10-12)15(16)11-13-6-8-17-9-7-13/h12-16H,2-11H2,1H3
InChIKeyPMBHTYHXXOBQOM-UHFFFAOYSA-N
MW256.45 g/mol
LogP4.10
Rot. Bonds4

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

1-(3-ethylcyclohexyl)-2-(thian-4-yl)ethanol (PubChem CID 105104403) has the molecular formula C15H28OS and a molecular weight of 256.45 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)-2-(thian-4-yl)ethanol.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)-2-(thian-4-yl)ethanol
PubChem CID105104403
Molecular FormulaC15H28OS
Molecular Weight256.45 g/mol
Exact Mass256.19
IUPAC Name1-(3-ethylcyclohexyl)-2-(thian-4-yl)ethanol
SMILESCCC1CCCC(C(O)CC2CCSCC2)C1
InChIInChI=1S/C15H28OS/c1-2-12-4-3-5-14(10-12)15(16)11-13-6-8-17-9-7-13/h12-16H,2-11H2,1H3
InChIKeyPMBHTYHXXOBQOM-UHFFFAOYSA-N
XLogP4.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclobutyl-1-(3-ethylcyclohexyl)ethanol
CID 65457880
[1-(3-ethylcyclohexyl)-2-(thian-4-yl)ethyl]hydrazine
CID 105313803
1-(3-ethylcyclohexyl)-2-(oxan-2-yl)ethanol
CID 113391339
1-(3-ethylcyclohexyl)-3-methylbut-3-en-1-ol
CID 79177597
1-(4-methylcyclohexyl)-2-(thian-4-yl)ethanol
CID 105102503
2-(3,3-difluorocyclohexyl)-1-(3-ethylcyclopentyl)ethanol
CID 114224702
1-(3-ethylcyclohexyl)decan-1-ol
CID 65401129
1-(3-ethylcyclohexyl)-2,2-difluoroethanol
CID 112699179
cyclopentyl-(3-ethylcyclopentyl)methanol
CID 65410347
1-(3-ethylcyclopentyl)but-3-en-1-ol
CID 65409759
(3-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanol
CID 113299467
(3-ethylcyclohexyl)-(4-propylcyclohexyl)methanol
CID 65423709

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)-2-(thian-4-yl)ethanol?
The IUPAC name of 1-(3-ethylcyclohexyl)-2-(thian-4-yl)ethanol (CID 105104403) is 1-(3-ethylcyclohexyl)-2-(thian-4-yl)ethanol.
What is the SMILES notation for 1-(3-ethylcyclohexyl)-2-(thian-4-yl)ethanol?
The canonical SMILES for 1-(3-ethylcyclohexyl)-2-(thian-4-yl)ethanol is CCC1CCCC(C(O)CC2CCSCC2)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)-2-(thian-4-yl)ethanol?
The InChIKey is PMBHTYHXXOBQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28OS/c1-2-12-4-3-5-14(10-12)15(16)11-13-6-8-17-9-7-13/h12-16H,2-11H2,1H3.
What are the key properties of 1-(3-ethylcyclohexyl)-2-(thian-4-yl)ethanol?
1-(3-ethylcyclohexyl)-2-(thian-4-yl)ethanol has a molecular weight of 256.45 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)-2-(thian-4-yl)ethanol is sourced from PubChem (CID 105104403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).