3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-one

C9H10O3 — CID 89030630

IUPAC3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-one
SMILESC=C1C=C(OC)C(OC)=CC1=O
InChIInChI=1S/C9H10O3/c1-6-4-8(11-2)9(12-3)5-7(6)10/h4-5H,1H2,2-3H3
InChIKeyBLZBSWPVVNXSEB-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.19
Rot. Bonds2

About 3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-one

3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-one (PubChem CID 89030630) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-one
PubChem CID89030630
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-one
SMILESC=C1C=C(OC)C(OC)=CC1=O
InChIInChI=1S/C9H10O3/c1-6-4-8(11-2)9(12-3)5-7(6)10/h4-5H,1H2,2-3H3
InChIKeyBLZBSWPVVNXSEB-UHFFFAOYSA-N
XLogP1.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4,5-dimethoxycyclohexa-3,5-diene-1,2-dione
CID 118734025
4,5-Dimethoxy-o-benzoquinone
CID 88786
4-Methoxy-5-methylcyclohexa-3,5-diene-1,2-dione
CID 12194853
4-Methoxy-1,2-benzoquinone
CID 125814
4,4,5-Trimethoxy-2-methylcyclohexa-2,5-dien-1-one
CID 11138071
4-Methoxycyclohexa-2,4-dien-1-one
CID 10890720
5-Methoxy-toluchinon
CID 101141524
(4E,6E)-6-fluoro-5-methoxy-3-methylideneocta-4,6-dien-2-one
CID 145493820
Carbon monoxide;iron;4-methoxycyclohexa-2,4-dien-1-one
CID 10890719
1-(2,6-dimethyl-2H-pyran-5-yl)ethanone
CID 12500718
(6E)-6-(3,4-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3,4-dimethoxycyclohexa-2,4-dien-1-one
CID 13068638
4-Methoxy-6-methylidenecyclohexa-2,4-dien-1-one
CID 49842553

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-one?
The IUPAC name of 3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-one (CID 89030630) is 3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-one.
What is the SMILES notation for 3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-one?
The canonical SMILES for 3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-one is C=C1C=C(OC)C(OC)=CC1=O.
What is the InChIKey of 3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-one?
The InChIKey is BLZBSWPVVNXSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-6-4-8(11-2)9(12-3)5-7(6)10/h4-5H,1H2,2-3H3.
What are the key properties of 3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-one?
3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-one has a molecular weight of 166.18 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-one is sourced from PubChem (CID 89030630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).