4-methoxy-2,6,6-trimethylcyclohexa-2,4-dien-1-one

C10H14O2 — CID 13244188

IUPAC4-methoxy-2,6,6-trimethylcyclohexa-2,4-dien-1-one
SMILESCOC1=CC(C)(C)C(=O)C(C)=C1
InChIInChI=1S/C10H14O2/c1-7-5-8(12-4)6-10(2,3)9(7)11/h5-6H,1-4H3
InChIKeyAVRPPMLLJZHKKW-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.07
Rot. Bonds1

About 4-methoxy-2,6,6-trimethylcyclohexa-2,4-dien-1-one

4-methoxy-2,6,6-trimethylcyclohexa-2,4-dien-1-one (PubChem CID 13244188) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-methoxy-2,6,6-trimethylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name4-methoxy-2,6,6-trimethylcyclohexa-2,4-dien-1-one
PubChem CID13244188
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name4-methoxy-2,6,6-trimethylcyclohexa-2,4-dien-1-one
SMILESCOC1=CC(C)(C)C(=O)C(C)=C1
InChIInChI=1S/C10H14O2/c1-7-5-8(12-4)6-10(2,3)9(7)11/h5-6H,1-4H3
InChIKeyAVRPPMLLJZHKKW-UHFFFAOYSA-N
XLogP2.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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-methoxy-2,6,6-trimethylcyclohexa-2,4-dien-1-one?
The IUPAC name of 4-methoxy-2,6,6-trimethylcyclohexa-2,4-dien-1-one (CID 13244188) is 4-methoxy-2,6,6-trimethylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for 4-methoxy-2,6,6-trimethylcyclohexa-2,4-dien-1-one?
The canonical SMILES for 4-methoxy-2,6,6-trimethylcyclohexa-2,4-dien-1-one is COC1=CC(C)(C)C(=O)C(C)=C1.
What is the InChIKey of 4-methoxy-2,6,6-trimethylcyclohexa-2,4-dien-1-one?
The InChIKey is AVRPPMLLJZHKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-7-5-8(12-4)6-10(2,3)9(7)11/h5-6H,1-4H3.
What are the key properties of 4-methoxy-2,6,6-trimethylcyclohexa-2,4-dien-1-one?
4-methoxy-2,6,6-trimethylcyclohexa-2,4-dien-1-one has a molecular weight of 166.22 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,6,6-trimethylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 13244188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).