2,4-dimethyl-3-(3-methylbuta-1,2-dienyl)-2H-furan-5-one

C11H14O2 — CID 86094743

IUPAC2,4-dimethyl-3-(3-methylbuta-1,2-dienyl)-2H-furan-5-one
SMILESCC(C)=C=CC1=C(C)C(=O)OC1C
InChIInChI=1S/C11H14O2/c1-7(2)5-6-10-8(3)11(12)13-9(10)4/h6,9H,1-4H3
InChIKeyWHEDSGQGVINWHG-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.37
Rot. Bonds1

About 2,4-dimethyl-3-(3-methylbuta-1,2-dienyl)-2H-furan-5-one

2,4-dimethyl-3-(3-methylbuta-1,2-dienyl)-2H-furan-5-one (PubChem CID 86094743) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2,4-dimethyl-3-(3-methylbuta-1,2-dienyl)-2H-furan-5-one.

Molecular Properties

Compound Name2,4-dimethyl-3-(3-methylbuta-1,2-dienyl)-2H-furan-5-one
PubChem CID86094743
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2,4-dimethyl-3-(3-methylbuta-1,2-dienyl)-2H-furan-5-one
SMILESCC(C)=C=CC1=C(C)C(=O)OC1C
InChIInChI=1S/C11H14O2/c1-7(2)5-6-10-8(3)11(12)13-9(10)4/h6,9H,1-4H3
InChIKeyWHEDSGQGVINWHG-UHFFFAOYSA-N
XLogP2.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Dimethylfuran-2(5H)-one
CID 318158
3-[(E)-3-hydroxybut-1-enyl]-4-[(E)-prop-1-enyl]-2H-furan-5-one
CID 86573697
3,4,5-trimethylfuran-2(5H)-one
CID 9898826
3-[(1Z)-4-methylpenta-1,3-dienyl]-2H-furan-5-one
CID 10953862
3-[(1E)-4-methylpenta-1,3-dienyl]-2H-furan-5-one
CID 10986587
2,3,7-trimethyl-2H-pyrano[3,2-c]pyran-5-one
CID 44431110
2-ethyl-7-methyl-2H-pyrano[4,3-b]pyran-5-one
CID 44431112
4-[(Z)-hex-1-enyl]-2-methyl-2H-furan-5-one
CID 67201435
Isopropyl 2,4-dimethyl-2E,4E-heptadienoate
CID 20056444
(5R)-5-(1E)-1,3-Butadien-1-yl-3-(1E)-1-propen-1-yl-2(5H)-furanone
CID 10965058
5-methylidene-6-[(E)-pent-1-enyl]pyran-2-one
CID 25187961
5-methylidene-6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one
CID 25187964

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-(3-methylbuta-1,2-dienyl)-2H-furan-5-one?
The IUPAC name of 2,4-dimethyl-3-(3-methylbuta-1,2-dienyl)-2H-furan-5-one (CID 86094743) is 2,4-dimethyl-3-(3-methylbuta-1,2-dienyl)-2H-furan-5-one.
What is the SMILES notation for 2,4-dimethyl-3-(3-methylbuta-1,2-dienyl)-2H-furan-5-one?
The canonical SMILES for 2,4-dimethyl-3-(3-methylbuta-1,2-dienyl)-2H-furan-5-one is CC(C)=C=CC1=C(C)C(=O)OC1C.
What is the InChIKey of 2,4-dimethyl-3-(3-methylbuta-1,2-dienyl)-2H-furan-5-one?
The InChIKey is WHEDSGQGVINWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-7(2)5-6-10-8(3)11(12)13-9(10)4/h6,9H,1-4H3.
What are the key properties of 2,4-dimethyl-3-(3-methylbuta-1,2-dienyl)-2H-furan-5-one?
2,4-dimethyl-3-(3-methylbuta-1,2-dienyl)-2H-furan-5-one has a molecular weight of 178.23 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-(3-methylbuta-1,2-dienyl)-2H-furan-5-one is sourced from PubChem (CID 86094743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).