4-ethoxy-6,6-dimethylcyclohexa-2,4-dien-1-one

C10H14O2 — CID 91450618

IUPAC4-ethoxy-6,6-dimethylcyclohexa-2,4-dien-1-one
SMILESCCOC1=CC(C)(C)C(=O)C=C1
InChIInChI=1S/C10H14O2/c1-4-12-8-5-6-9(11)10(2,3)7-8/h5-7H,4H2,1-3H3
InChIKeyJHOJTOUUFMRIKQ-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.07
Rot. Bonds2

About 4-ethoxy-6,6-dimethylcyclohexa-2,4-dien-1-one

4-ethoxy-6,6-dimethylcyclohexa-2,4-dien-1-one (PubChem CID 91450618) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-ethoxy-6,6-dimethylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name4-ethoxy-6,6-dimethylcyclohexa-2,4-dien-1-one
PubChem CID91450618
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name4-ethoxy-6,6-dimethylcyclohexa-2,4-dien-1-one
SMILESCCOC1=CC(C)(C)C(=O)C=C1
InChIInChI=1S/C10H14O2/c1-4-12-8-5-6-9(11)10(2,3)7-8/h5-7H,4H2,1-3H3
InChIKeyJHOJTOUUFMRIKQ-UHFFFAOYSA-N
XLogP2.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6,6-dimethylcyclohexa-2,4-dien-1-one?
The IUPAC name of 4-ethoxy-6,6-dimethylcyclohexa-2,4-dien-1-one (CID 91450618) is 4-ethoxy-6,6-dimethylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for 4-ethoxy-6,6-dimethylcyclohexa-2,4-dien-1-one?
The canonical SMILES for 4-ethoxy-6,6-dimethylcyclohexa-2,4-dien-1-one is CCOC1=CC(C)(C)C(=O)C=C1.
What is the InChIKey of 4-ethoxy-6,6-dimethylcyclohexa-2,4-dien-1-one?
The InChIKey is JHOJTOUUFMRIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-4-12-8-5-6-9(11)10(2,3)7-8/h5-7H,4H2,1-3H3.
What are the key properties of 4-ethoxy-6,6-dimethylcyclohexa-2,4-dien-1-one?
4-ethoxy-6,6-dimethylcyclohexa-2,4-dien-1-one has a molecular weight of 166.22 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6,6-dimethylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 91450618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).