2-ethyl-6-methoxy-4-methylcyclohexa-2,5-dien-1-one

C10H14O2 — CID 142171277

IUPAC2-ethyl-6-methoxy-4-methylcyclohexa-2,5-dien-1-one
SMILESCCC1=CC(C)C=C(OC)C1=O
InChIInChI=1S/C10H14O2/c1-4-8-5-7(2)6-9(12-3)10(8)11/h5-7H,4H2,1-3H3
InChIKeyROWSXHDZGPAWOZ-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.07
Rot. Bonds2

About 2-ethyl-6-methoxy-4-methylcyclohexa-2,5-dien-1-one

2-ethyl-6-methoxy-4-methylcyclohexa-2,5-dien-1-one (PubChem CID 142171277) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-ethyl-6-methoxy-4-methylcyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name2-ethyl-6-methoxy-4-methylcyclohexa-2,5-dien-1-one
PubChem CID142171277
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-ethyl-6-methoxy-4-methylcyclohexa-2,5-dien-1-one
SMILESCCC1=CC(C)C=C(OC)C1=O
InChIInChI=1S/C10H14O2/c1-4-8-5-7(2)6-9(12-3)10(8)11/h5-7H,4H2,1-3H3
InChIKeyROWSXHDZGPAWOZ-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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Related Compounds

2,6-dimethoxy-4-methylcyclohexa-2,5-dien-1-one
CID 142171284
2,3-diethyl-5-methylcyclopenta-1,3-diene
CID 152862708
2-butyl-6-methoxycyclohexa-2,5-diene-1,4-dione
CID 3017085
2-methoxy-6-[(Z)-pentadec-10-enyl]cyclohexa-2,5-diene-1,4-dione
CID 11100077
2-[(Z)-heptadec-10-enyl]-6-methoxycyclohexa-2,5-diene-1,4-dione
CID 5318483
ethane;3-ethyl-2,5-dimethylcyclohexa-1,3-diene
CID 142036504
2,6-dimethoxy-4-propylidenecyclohexa-2,5-dien-1-one
CID 11084737
2-methoxy-6-prop-2-enylcyclohexa-2,5-diene-1,4-dione
CID 5001295
2,3-dimethoxy-7-methylcyclohepta-1,3,5-triene
CID 170731638
3-ethyl-5-methoxy-1-methyl-1,3-dihydro-2-benzofuran-4,7-dione
CID 45093708
2,6-dimethoxycyclohexa-2,5-diene-1,4-dione;hydrochloride
CID 172805370
6-ethyl-3-(4-fluorophenyl)-7-methoxy-4a,8a-dihydrochromen-4-one
CID 21239081

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methoxy-4-methylcyclohexa-2,5-dien-1-one?
The IUPAC name of 2-ethyl-6-methoxy-4-methylcyclohexa-2,5-dien-1-one (CID 142171277) is 2-ethyl-6-methoxy-4-methylcyclohexa-2,5-dien-1-one.
What is the SMILES notation for 2-ethyl-6-methoxy-4-methylcyclohexa-2,5-dien-1-one?
The canonical SMILES for 2-ethyl-6-methoxy-4-methylcyclohexa-2,5-dien-1-one is CCC1=CC(C)C=C(OC)C1=O.
What is the InChIKey of 2-ethyl-6-methoxy-4-methylcyclohexa-2,5-dien-1-one?
The InChIKey is ROWSXHDZGPAWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-4-8-5-7(2)6-9(12-3)10(8)11/h5-7H,4H2,1-3H3.
What are the key properties of 2-ethyl-6-methoxy-4-methylcyclohexa-2,5-dien-1-one?
2-ethyl-6-methoxy-4-methylcyclohexa-2,5-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 2-ethyl-6-methoxy-4-methylcyclohexa-2,5-dien-1-one is sourced from PubChem (CID 142171277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).