3,4-dimethoxy-5-propan-2-ylidenefuran-2-one

C9H12O4 — CID 14169202

IUPAC3,4-dimethoxy-5-propan-2-ylidenefuran-2-one
SMILESCOC1=C(OC)C(=C(C)C)OC1=O
InChIInChI=1S/C9H12O4/c1-5(2)6-7(11-3)8(12-4)9(10)13-6/h1-4H3
InChIKeyJGIPJPFONGBFHA-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.34
Rot. Bonds2

About 3,4-dimethoxy-5-propan-2-ylidenefuran-2-one

3,4-dimethoxy-5-propan-2-ylidenefuran-2-one (PubChem CID 14169202) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is 3,4-dimethoxy-5-propan-2-ylidenefuran-2-one.

Molecular Properties

Compound Name3,4-dimethoxy-5-propan-2-ylidenefuran-2-one
PubChem CID14169202
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name3,4-dimethoxy-5-propan-2-ylidenefuran-2-one
SMILESCOC1=C(OC)C(=C(C)C)OC1=O
InChIInChI=1S/C9H12O4/c1-5(2)6-7(11-3)8(12-4)9(10)13-6/h1-4H3
InChIKeyJGIPJPFONGBFHA-UHFFFAOYSA-N
XLogP1.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-methoxy-3-methylbut-2-enoate
CID 537026
Maleic anhydride, dihydroxy-, diacetate
CID 8597
Maleic anhydride, dihydroxy-, dipropionate
CID 22096
Fumaric acid, dihydroxy-, dimethyl ester, diacetate
CID 3032293
Dimethyl diacetoxyfumarate
CID 13100501
4-methoxy-3-methyl-2H-furan-5-one
CID 13597599
(3,4-Dimethoxy-5-oxo-5h-furan-2-ylidene)acetaldehyde
CID 2747727
3,4-Diethoxy-5-methylidenefuran-2-one
CID 10330020
methyl (2Z)-2-(3-methoxy-4-methyl-5-oxofuran-2-ylidene)acetate
CID 10631804
ethyl (2E)-2-(3-ethoxy-4-methyl-5-oxofuran-2-ylidene)acetate
CID 10846851
methyl (2Z)-2-(3-methoxy-5-oxofuran-2-ylidene)acetate
CID 11622455
1,4-dimethyl (2E)-2,3-bis(acetyloxy)but-2-enedioate
CID 8545

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-5-propan-2-ylidenefuran-2-one?
The IUPAC name of 3,4-dimethoxy-5-propan-2-ylidenefuran-2-one (CID 14169202) is 3,4-dimethoxy-5-propan-2-ylidenefuran-2-one.
What is the SMILES notation for 3,4-dimethoxy-5-propan-2-ylidenefuran-2-one?
The canonical SMILES for 3,4-dimethoxy-5-propan-2-ylidenefuran-2-one is COC1=C(OC)C(=C(C)C)OC1=O.
What is the InChIKey of 3,4-dimethoxy-5-propan-2-ylidenefuran-2-one?
The InChIKey is JGIPJPFONGBFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4/c1-5(2)6-7(11-3)8(12-4)9(10)13-6/h1-4H3.
What are the key properties of 3,4-dimethoxy-5-propan-2-ylidenefuran-2-one?
3,4-dimethoxy-5-propan-2-ylidenefuran-2-one has a molecular weight of 184.19 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-5-propan-2-ylidenefuran-2-one is sourced from PubChem (CID 14169202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).