1-(2-ethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol

C16H30O — CID 64754170

IUPAC1-(2-ethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol
SMILESCCC1CCCCC1C1(O)CCCC(C)C1C
InChIInChI=1S/C16H30O/c1-4-14-9-5-6-10-15(14)16(17)11-7-8-12(2)13(16)3/h12-15,17H,4-11H2,1-3H3
InChIKeyGGLOTBOFURUYLZ-UHFFFAOYSA-N
MW238.41 g/mol
LogP4.39
Rot. Bonds2

About 1-(2-ethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol

1-(2-ethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol (PubChem CID 64754170) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol
PubChem CID64754170
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name1-(2-ethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol
SMILESCCC1CCCCC1C1(O)CCCC(C)C1C
InChIInChI=1S/C16H30O/c1-4-14-9-5-6-10-15(14)16(17)11-7-8-12(2)13(16)3/h12-15,17H,4-11H2,1-3H3
InChIKeyGGLOTBOFURUYLZ-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-ethylcyclohexyl)-2,5-dimethylcyclohexan-1-ol
CID 64755417
cis-(1S,2S)-1-ethyl-2-methylcyclohexane
CID 23620237
4-(2-ethylcyclohexyl)piperidin-4-ol
CID 63861631
1-(2-ethylcyclohexyl)cyclopropan-1-amine
CID 84731722
ethane;trans-(1S,2R)-1-ethyl-2-methylcyclohexane
CID 143479638
1-(2-ethylcyclohexyl)-4-propylcyclohexan-1-ol
CID 63861268
1,2,16-triethyl-15-methylcyclopentatriacontane
CID 123855410
(1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)methanol
CID 68744336
1-(3,4-dimethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol
CID 64756014
(2-ethylcyclohexyl)-(2-methylcyclopropyl)methanol
CID 65420824
(1S,4aR,8aR)-1-(hydroxymethyl)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol
CID 10607560
1,3-diethyl-1,2-dimethylcyclohexane
CID 123496519

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(2-ethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol (CID 64754170) is 1-(2-ethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(2-ethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(2-ethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol is CCC1CCCCC1C1(O)CCCC(C)C1C.
What is the InChIKey of 1-(2-ethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol?
The InChIKey is GGLOTBOFURUYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-4-14-9-5-6-10-15(14)16(17)11-7-8-12(2)13(16)3/h12-15,17H,4-11H2,1-3H3.
What are the key properties of 1-(2-ethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol?
1-(2-ethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol has a molecular weight of 238.41 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol is sourced from PubChem (CID 64754170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).