3-ethyl-5-hydroxycyclohexan-1-one

C8H14O2 — CID 85369154

IUPAC3-ethyl-5-hydroxycyclohexan-1-one
SMILESCCC1CC(=O)CC(O)C1
InChIInChI=1S/C8H14O2/c1-2-6-3-7(9)5-8(10)4-6/h6-7,9H,2-5H2,1H3
InChIKeyWPPKIPAIXPTKBQ-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.13
Rot. Bonds1

About 3-ethyl-5-hydroxycyclohexan-1-one

3-ethyl-5-hydroxycyclohexan-1-one (PubChem CID 85369154) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-ethyl-5-hydroxycyclohexan-1-one.

Molecular Properties

Compound Name3-ethyl-5-hydroxycyclohexan-1-one
PubChem CID85369154
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-ethyl-5-hydroxycyclohexan-1-one
SMILESCCC1CC(=O)CC(O)C1
InChIInChI=1S/C8H14O2/c1-2-6-3-7(9)5-8(10)4-6/h6-7,9H,2-5H2,1H3
InChIKeyWPPKIPAIXPTKBQ-UHFFFAOYSA-N
XLogP1.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-hydroxycyclohexan-1-one?
The IUPAC name of 3-ethyl-5-hydroxycyclohexan-1-one (CID 85369154) is 3-ethyl-5-hydroxycyclohexan-1-one.
What is the SMILES notation for 3-ethyl-5-hydroxycyclohexan-1-one?
The canonical SMILES for 3-ethyl-5-hydroxycyclohexan-1-one is CCC1CC(=O)CC(O)C1.
What is the InChIKey of 3-ethyl-5-hydroxycyclohexan-1-one?
The InChIKey is WPPKIPAIXPTKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-6-3-7(9)5-8(10)4-6/h6-7,9H,2-5H2,1H3.
What are the key properties of 3-ethyl-5-hydroxycyclohexan-1-one?
3-ethyl-5-hydroxycyclohexan-1-one has a molecular weight of 142.20 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-hydroxycyclohexan-1-one is sourced from PubChem (CID 85369154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).