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

C11H14O3 — CID 11084737

IUPAC2,6-dimethoxy-4-propylidenecyclohexa-2,5-dien-1-one
SMILESCCC=C1C=C(OC)C(=O)C(OC)=C1
InChIInChI=1S/C11H14O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h5-7H,4H2,1-3H3
InChIKeyOCPNIGBUZLTBHM-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.97
Rot. Bonds3

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

2,6-dimethoxy-4-propylidenecyclohexa-2,5-dien-1-one (PubChem CID 11084737) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2,6-dimethoxy-4-propylidenecyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name2,6-dimethoxy-4-propylidenecyclohexa-2,5-dien-1-one
PubChem CID11084737
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2,6-dimethoxy-4-propylidenecyclohexa-2,5-dien-1-one
SMILESCCC=C1C=C(OC)C(=O)C(OC)=C1
InChIInChI=1S/C11H14O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h5-7H,4H2,1-3H3
InChIKeyOCPNIGBUZLTBHM-UHFFFAOYSA-N
XLogP1.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-4-hydroxy-2-(hydroxymethyl)butylidene]-2,6-dimethoxycyclohexa-2,5-dien-1-one
CID 72826079
2,6-dimethoxycyclohexa-2,5-diene-1,4-dione;hydrochloride
CID 172805370
3-ethyl-5-methoxy-1-methyl-1,3-dihydro-2-benzofuran-4,7-dione
CID 45093708
2-butoxy-3,5-dimethoxycyclohexa-2,5-diene-1,4-dione
CID 71336521
2-butyl-6-methoxycyclohexa-2,5-diene-1,4-dione
CID 3017085
2-methoxy-6-prop-2-enylcyclohexa-2,5-diene-1,4-dione
CID 5001295
5-[[(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]methylidene]-2-methylidenecyclohexa-3,6-diene-1,3-dicarbaldehyde
CID 160554399
2-hydroxy-5-methoxy-3-pentylcyclohexa-2,5-diene-1,4-dione
CID 10036564
3-hexyl-2,5-dimethoxycyclohexa-2,5-diene-1,4-dione
CID 118733915
2,6-dimethoxy-4-methylcyclohexa-2,5-dien-1-one
CID 142171284
6-methoxycyclohex-5-ene-1,2,4-trione
CID 123691379
(4E)-2-bromo-4-[2-(1-dodecyl-4-pyridinylidene)ethylidene]-6-methoxycyclohexa-2,5-dien-1-one
CID 177448046

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-propylidenecyclohexa-2,5-dien-1-one?
The IUPAC name of 2,6-dimethoxy-4-propylidenecyclohexa-2,5-dien-1-one (CID 11084737) is 2,6-dimethoxy-4-propylidenecyclohexa-2,5-dien-1-one.
What is the SMILES notation for 2,6-dimethoxy-4-propylidenecyclohexa-2,5-dien-1-one?
The canonical SMILES for 2,6-dimethoxy-4-propylidenecyclohexa-2,5-dien-1-one is CCC=C1C=C(OC)C(=O)C(OC)=C1.
What is the InChIKey of 2,6-dimethoxy-4-propylidenecyclohexa-2,5-dien-1-one?
The InChIKey is OCPNIGBUZLTBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h5-7H,4H2,1-3H3.
What are the key properties of 2,6-dimethoxy-4-propylidenecyclohexa-2,5-dien-1-one?
2,6-dimethoxy-4-propylidenecyclohexa-2,5-dien-1-one has a molecular weight of 194.23 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-propylidenecyclohexa-2,5-dien-1-one is sourced from PubChem (CID 11084737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).