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

C11H16O2 — CID 14568586

IUPAC6-(methoxymethyl)-2,4,6-trimethylcyclohexa-2,4-dien-1-one
SMILESCOCC1(C)C=C(C)C=C(C)C1=O
InChIInChI=1S/C11H16O2/c1-8-5-9(2)10(12)11(3,6-8)7-13-4/h5-6H,7H2,1-4H3
InChIKeyFHTTXFANRRVZLH-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.11
Rot. Bonds2

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

6-(methoxymethyl)-2,4,6-trimethylcyclohexa-2,4-dien-1-one (PubChem CID 14568586) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 6-(methoxymethyl)-2,4,6-trimethylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-(methoxymethyl)-2,4,6-trimethylcyclohexa-2,4-dien-1-one
PubChem CID14568586
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name6-(methoxymethyl)-2,4,6-trimethylcyclohexa-2,4-dien-1-one
SMILESCOCC1(C)C=C(C)C=C(C)C1=O
InChIInChI=1S/C11H16O2/c1-8-5-9(2)10(12)11(3,6-8)7-13-4/h5-6H,7H2,1-4H3
InChIKeyFHTTXFANRRVZLH-UHFFFAOYSA-N
XLogP2.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(Methoxymethyl)-4-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-one
CID 173108291
6-(Methoxymethyl)-2,6-dimethylcyclohexa-2,4-dien-1-one
CID 14568580
6-(2-Methoxyethoxymethyl)-2,6-dimethylcyclohexa-2,4-dien-1-one
CID 14568582
2,6-Dimethyl-6-(2-trimethylsilylethoxymethyl)cyclohexa-2,4-dien-1-one
CID 14568583
6-(2-Methoxyethoxymethyl)-2,4,6-trimethylcyclohexa-2,4-dien-1-one
CID 14568588
2,4,6-Trimethyl-6-(2-trimethylsilylethoxymethyl)cyclohexa-2,4-dien-1-one
CID 14568589
6-(Methoxymethyl)-2,6-dimethylcyclohex-2-en-1-one
CID 102201889
1-[1-(Methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]propan-1-one
CID 67368968
1-[1-(Methoxymethyl)-2,6-dimethylcyclohexa-2,5-dien-1-yl]propan-1-one
CID 67369839
1-[1-(Methoxymethyl)cyclopenta-2,4-dien-1-yl]propan-1-one
CID 67371067
1-[1-(Methoxymethyl)cyclohexa-2,5-dien-1-yl]propan-1-one
CID 67372235
1-[1-(Methoxymethyl)cyclohexa-2,5-dien-1-yl]-2-methylpropan-1-one
CID 67419870

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2,4,6-trimethylcyclohexa-2,4-dien-1-one?
The IUPAC name of 6-(methoxymethyl)-2,4,6-trimethylcyclohexa-2,4-dien-1-one (CID 14568586) is 6-(methoxymethyl)-2,4,6-trimethylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-(methoxymethyl)-2,4,6-trimethylcyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-(methoxymethyl)-2,4,6-trimethylcyclohexa-2,4-dien-1-one is COCC1(C)C=C(C)C=C(C)C1=O.
What is the InChIKey of 6-(methoxymethyl)-2,4,6-trimethylcyclohexa-2,4-dien-1-one?
The InChIKey is FHTTXFANRRVZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-8-5-9(2)10(12)11(3,6-8)7-13-4/h5-6H,7H2,1-4H3.
What are the key properties of 6-(methoxymethyl)-2,4,6-trimethylcyclohexa-2,4-dien-1-one?
6-(methoxymethyl)-2,4,6-trimethylcyclohexa-2,4-dien-1-one has a molecular weight of 180.25 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2,4,6-trimethylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 14568586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).