2,4-dimethyl-3-(2-methylpropyl)-2H-furan-5-one

C10H16O2 — CID 59125818

IUPAC2,4-dimethyl-3-(2-methylpropyl)-2H-furan-5-one
SMILESCC1=C(CC(C)C)C(C)OC1=O
InChIInChI=1S/C10H16O2/c1-6(2)5-9-7(3)10(11)12-8(9)4/h6,8H,5H2,1-4H3
InChIKeyCIBPIEYZZSQUTQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.29
Rot. Bonds2

About 2,4-dimethyl-3-(2-methylpropyl)-2H-furan-5-one

2,4-dimethyl-3-(2-methylpropyl)-2H-furan-5-one (PubChem CID 59125818) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2,4-dimethyl-3-(2-methylpropyl)-2H-furan-5-one.

Molecular Properties

Compound Name2,4-dimethyl-3-(2-methylpropyl)-2H-furan-5-one
PubChem CID59125818
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2,4-dimethyl-3-(2-methylpropyl)-2H-furan-5-one
SMILESCC1=C(CC(C)C)C(C)OC1=O
InChIInChI=1S/C10H16O2/c1-6(2)5-9-7(3)10(11)12-8(9)4/h6,8H,5H2,1-4H3
InChIKeyCIBPIEYZZSQUTQ-UHFFFAOYSA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Dihydrobovolide, (+-)-
CID 13192443
(2S)-2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]-3,4-dimethyl-2H-furan-5-one
CID 11737209
3-Isopropyl-2-penten-4-olide
CID 86168058
Capensifuranone
CID 21673749
(5S,S)-5-methyl-3-(2-methylbutyl)furan-2(5H)-one
CID 16090237
(2R)-2-methyl-4-(3-methylbutyl)-2H-furan-5-one
CID 163043046
3-methyl-5,6,7,7a-tetrahydro-4H-benzofuran-2-one
CID 11040885
2(3H)-Furanone, dihydro-5-(1-methylethyl)-3-(1-methylethylidene)-
CID 188459
5-Ethyl-3,4-dimethylfuran-2(5H)-one
CID 12680873
2-butyl-3,4-dimethyl-2H-furan-5-one
CID 67873447
2-Ethyl-6-methylhept-5-en-1-yl 3-methylbut-2-enoate
CID 21156118
Dihydrobovolide, (R)-
CID 11788657

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-(2-methylpropyl)-2H-furan-5-one?
The IUPAC name of 2,4-dimethyl-3-(2-methylpropyl)-2H-furan-5-one (CID 59125818) is 2,4-dimethyl-3-(2-methylpropyl)-2H-furan-5-one.
What is the SMILES notation for 2,4-dimethyl-3-(2-methylpropyl)-2H-furan-5-one?
The canonical SMILES for 2,4-dimethyl-3-(2-methylpropyl)-2H-furan-5-one is CC1=C(CC(C)C)C(C)OC1=O.
What is the InChIKey of 2,4-dimethyl-3-(2-methylpropyl)-2H-furan-5-one?
The InChIKey is CIBPIEYZZSQUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-6(2)5-9-7(3)10(11)12-8(9)4/h6,8H,5H2,1-4H3.
What are the key properties of 2,4-dimethyl-3-(2-methylpropyl)-2H-furan-5-one?
2,4-dimethyl-3-(2-methylpropyl)-2H-furan-5-one has a molecular weight of 168.24 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-(2-methylpropyl)-2H-furan-5-one is sourced from PubChem (CID 59125818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).