6-(methoxymethyl)-2,6-dimethylcyclohexa-2,4-dien-1-one

C10H14O2 — CID 14568580

IUPAC6-(methoxymethyl)-2,6-dimethylcyclohexa-2,4-dien-1-one
SMILESCOCC1(C)C=CC=C(C)C1=O
InChIInChI=1S/C10H14O2/c1-8-5-4-6-10(2,7-12-3)9(8)11/h4-6H,7H2,1-3H3
InChIKeyRSSPWWBEVAIYAM-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.72
Rot. Bonds2

About 6-(methoxymethyl)-2,6-dimethylcyclohexa-2,4-dien-1-one

6-(methoxymethyl)-2,6-dimethylcyclohexa-2,4-dien-1-one (PubChem CID 14568580) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 6-(methoxymethyl)-2,6-dimethylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-(methoxymethyl)-2,6-dimethylcyclohexa-2,4-dien-1-one
PubChem CID14568580
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name6-(methoxymethyl)-2,6-dimethylcyclohexa-2,4-dien-1-one
SMILESCOCC1(C)C=CC=C(C)C1=O
InChIInChI=1S/C10H14O2/c1-8-5-4-6-10(2,7-12-3)9(8)11/h4-6H,7H2,1-3H3
InChIKeyRSSPWWBEVAIYAM-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2,6-dimethylcyclohexa-2,4-dien-1-one?
The IUPAC name of 6-(methoxymethyl)-2,6-dimethylcyclohexa-2,4-dien-1-one (CID 14568580) is 6-(methoxymethyl)-2,6-dimethylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-(methoxymethyl)-2,6-dimethylcyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-(methoxymethyl)-2,6-dimethylcyclohexa-2,4-dien-1-one is COCC1(C)C=CC=C(C)C1=O.
What is the InChIKey of 6-(methoxymethyl)-2,6-dimethylcyclohexa-2,4-dien-1-one?
The InChIKey is RSSPWWBEVAIYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-8-5-4-6-10(2,7-12-3)9(8)11/h4-6H,7H2,1-3H3.
What are the key properties of 6-(methoxymethyl)-2,6-dimethylcyclohexa-2,4-dien-1-one?
6-(methoxymethyl)-2,6-dimethylcyclohexa-2,4-dien-1-one has a molecular weight of 166.22 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2,6-dimethylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 14568580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).