2,6-dimethoxy-4-methylidenecyclohexa-2,5-dien-1-one

C9H10O3 — CID 13229517

IUPAC2,6-dimethoxy-4-methylidenecyclohexa-2,5-dien-1-one
SMILESC=C1C=C(OC)C(=O)C(OC)=C1
InChIInChI=1S/C9H10O3/c1-6-4-7(11-2)9(10)8(5-6)12-3/h4-5H,1H2,2-3H3
InChIKeyDOHBOMUAJSYBTA-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.19
Rot. Bonds2

About 2,6-dimethoxy-4-methylidenecyclohexa-2,5-dien-1-one

2,6-dimethoxy-4-methylidenecyclohexa-2,5-dien-1-one (PubChem CID 13229517) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2,6-dimethoxy-4-methylidenecyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name2,6-dimethoxy-4-methylidenecyclohexa-2,5-dien-1-one
PubChem CID13229517
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name2,6-dimethoxy-4-methylidenecyclohexa-2,5-dien-1-one
SMILESC=C1C=C(OC)C(=O)C(OC)=C1
InChIInChI=1S/C9H10O3/c1-6-4-7(11-2)9(10)8(5-6)12-3/h4-5H,1H2,2-3H3
InChIKeyDOHBOMUAJSYBTA-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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-methylidenecyclohexa-2,5-dien-1-one?
The IUPAC name of 2,6-dimethoxy-4-methylidenecyclohexa-2,5-dien-1-one (CID 13229517) is 2,6-dimethoxy-4-methylidenecyclohexa-2,5-dien-1-one.
What is the SMILES notation for 2,6-dimethoxy-4-methylidenecyclohexa-2,5-dien-1-one?
The canonical SMILES for 2,6-dimethoxy-4-methylidenecyclohexa-2,5-dien-1-one is C=C1C=C(OC)C(=O)C(OC)=C1.
What is the InChIKey of 2,6-dimethoxy-4-methylidenecyclohexa-2,5-dien-1-one?
The InChIKey is DOHBOMUAJSYBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-6-4-7(11-2)9(10)8(5-6)12-3/h4-5H,1H2,2-3H3.
What are the key properties of 2,6-dimethoxy-4-methylidenecyclohexa-2,5-dien-1-one?
2,6-dimethoxy-4-methylidenecyclohexa-2,5-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 2,6-dimethoxy-4-methylidenecyclohexa-2,5-dien-1-one is sourced from PubChem (CID 13229517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).