6-ethenyl-5,6-dimethoxycyclohexa-2,4-dien-1-one

C10H12O3 — CID 11159658

IUPAC6-ethenyl-5,6-dimethoxycyclohexa-2,4-dien-1-one
SMILESC=CC1(OC)C(=O)C=CC=C1OC
InChIInChI=1S/C10H12O3/c1-4-10(13-3)8(11)6-5-7-9(10)12-2/h4-7H,1H2,2-3H3
InChIKeyKCUAGDROALRVFL-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.23
Rot. Bonds3

About 6-ethenyl-5,6-dimethoxycyclohexa-2,4-dien-1-one

6-ethenyl-5,6-dimethoxycyclohexa-2,4-dien-1-one (PubChem CID 11159658) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 6-ethenyl-5,6-dimethoxycyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-ethenyl-5,6-dimethoxycyclohexa-2,4-dien-1-one
PubChem CID11159658
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name6-ethenyl-5,6-dimethoxycyclohexa-2,4-dien-1-one
SMILESC=CC1(OC)C(=O)C=CC=C1OC
InChIInChI=1S/C10H12O3/c1-4-10(13-3)8(11)6-5-7-9(10)12-2/h4-7H,1H2,2-3H3
InChIKeyKCUAGDROALRVFL-UHFFFAOYSA-N
XLogP1.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S)-6-methoxy-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 44424554
2-Acetoxy-3-methoxy-2-methyl-cyclohexadienon
CID 12868274
3,4-Dimethoxycyclohexa-3,5-diene-1,2-dione
CID 21521484
2,4-Cyclohexadien-1-one, 5,6,6-trimethoxy-
CID 11401166
3,5-Dimethoxycyclohexa-3,5-diene-1,2-dione
CID 12294695
2,4-Dimethoxy-6-methylidene-3-propan-2-ylcyclohexa-2,4-dien-1-one
CID 101338429
2,2-Dimethyl-6-methylidenepyran-3-one
CID 20695153
6-Methoxy-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 24973601
2,4-Dimethoxy-3-methyl-6-methylidenecyclohexa-2,4-dien-1-one
CID 54290030
3,4,5-Trimethoxycyclohexa-3,5-diene-1,2-dione
CID 85595736
5,6-Dimethoxycyclohexa-2,4-dien-1-one
CID 141369105
1,2-Dimethoxycyclohexa-2,4-diene-1-carbaldehyde
CID 161384085

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-5,6-dimethoxycyclohexa-2,4-dien-1-one?
The IUPAC name of 6-ethenyl-5,6-dimethoxycyclohexa-2,4-dien-1-one (CID 11159658) is 6-ethenyl-5,6-dimethoxycyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-ethenyl-5,6-dimethoxycyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-ethenyl-5,6-dimethoxycyclohexa-2,4-dien-1-one is C=CC1(OC)C(=O)C=CC=C1OC.
What is the InChIKey of 6-ethenyl-5,6-dimethoxycyclohexa-2,4-dien-1-one?
The InChIKey is KCUAGDROALRVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-4-10(13-3)8(11)6-5-7-9(10)12-2/h4-7H,1H2,2-3H3.
What are the key properties of 6-ethenyl-5,6-dimethoxycyclohexa-2,4-dien-1-one?
6-ethenyl-5,6-dimethoxycyclohexa-2,4-dien-1-one has a molecular weight of 180.20 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-5,6-dimethoxycyclohexa-2,4-dien-1-one is sourced from PubChem (CID 11159658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).