1-ethylcyclohexan-1-ol

C8H16O — CID 16021

IUPAC1-ethylcyclohexan-1-ol
SMILESCCC1(O)CCCCC1
InChIInChI=1S/C8H16O/c1-2-8(9)6-4-3-5-7-8/h9H,2-7H2,1H3
InChIKeyBUCJHJXFXUZJHL-UHFFFAOYSA-N
MW128.22 g/mol
LogP2.09
Rot. Bonds1

About 1-ethylcyclohexan-1-ol

1-ethylcyclohexan-1-ol (PubChem CID 16021) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is 1-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-ethylcyclohexan-1-ol
PubChem CID16021
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Name1-ethylcyclohexan-1-ol
SMILESCCC1(O)CCCCC1
InChIInChI=1S/C8H16O/c1-2-8(9)6-4-3-5-7-8/h9H,2-7H2,1H3
InChIKeyBUCJHJXFXUZJHL-UHFFFAOYSA-N
XLogP2.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethylcyclohexan-1-ol?
The IUPAC name of 1-ethylcyclohexan-1-ol (CID 16021) is 1-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-ethylcyclohexan-1-ol?
The canonical SMILES for 1-ethylcyclohexan-1-ol is CCC1(O)CCCCC1.
What is the InChIKey of 1-ethylcyclohexan-1-ol?
The InChIKey is BUCJHJXFXUZJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-2-8(9)6-4-3-5-7-8/h9H,2-7H2,1H3.
What are the key properties of 1-ethylcyclohexan-1-ol?
1-ethylcyclohexan-1-ol has a molecular weight of 128.22 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylcyclohexan-1-ol is sourced from PubChem (CID 16021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).