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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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).