2,4-dimethyl-3-propan-2-yl-2H-furan-5-one

C9H14O2 — CID 90723386

IUPAC2,4-dimethyl-3-propan-2-yl-2H-furan-5-one
SMILESCC1=C(C(C)C)C(C)OC1=O
InChIInChI=1S/C9H14O2/c1-5(2)8-6(3)9(10)11-7(8)4/h5,7H,1-4H3
InChIKeyYBDZZUSCWBJLMQ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.90
Rot. Bonds1

About 2,4-dimethyl-3-propan-2-yl-2H-furan-5-one

2,4-dimethyl-3-propan-2-yl-2H-furan-5-one (PubChem CID 90723386) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2,4-dimethyl-3-propan-2-yl-2H-furan-5-one.

Molecular Properties

Compound Name2,4-dimethyl-3-propan-2-yl-2H-furan-5-one
PubChem CID90723386
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2,4-dimethyl-3-propan-2-yl-2H-furan-5-one
SMILESCC1=C(C(C)C)C(C)OC1=O
InChIInChI=1S/C9H14O2/c1-5(2)8-6(3)9(10)11-7(8)4/h5,7H,1-4H3
InChIKeyYBDZZUSCWBJLMQ-UHFFFAOYSA-N
XLogP1.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 9898826
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CID 5324906
5-Ethyl-3,4-dimethylfuran-2(5H)-one
CID 12680873
(2S)-2,3,4-trimethyl-2H-furan-5-one
CID 92974419
Trimethyl-5,6-dihydro-2-pyranone
CID 129781592
Diisopropyl methyl methacrylate
CID 129802269
(2R)-4-chloro-3-methyl-2-(2-methylpropyl)-2H-furan-5-one
CID 134855738
4,5,7,8-Tetramethyl-2-oxabicyclo[4.2.0]octa-4,7-dien-3-one
CID 134919638
[(3S)-2,4,5-trimethylhex-4-en-3-yl] acetate
CID 134930578
Crotonic acid, 2-isopropyl-3-methyl-, ethyl ester
CID 13840452
2-Methyl-3-pentyl 2,4-dimethyl-2-pentenoate
CID 91749762

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-propan-2-yl-2H-furan-5-one?
The IUPAC name of 2,4-dimethyl-3-propan-2-yl-2H-furan-5-one (CID 90723386) is 2,4-dimethyl-3-propan-2-yl-2H-furan-5-one.
What is the SMILES notation for 2,4-dimethyl-3-propan-2-yl-2H-furan-5-one?
The canonical SMILES for 2,4-dimethyl-3-propan-2-yl-2H-furan-5-one is CC1=C(C(C)C)C(C)OC1=O.
What is the InChIKey of 2,4-dimethyl-3-propan-2-yl-2H-furan-5-one?
The InChIKey is YBDZZUSCWBJLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-5(2)8-6(3)9(10)11-7(8)4/h5,7H,1-4H3.
What are the key properties of 2,4-dimethyl-3-propan-2-yl-2H-furan-5-one?
2,4-dimethyl-3-propan-2-yl-2H-furan-5-one has a molecular weight of 154.21 g/mol, XLogP of 1.90, 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-propan-2-yl-2H-furan-5-one is sourced from PubChem (CID 90723386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).