4-methyl-2,3-di(propan-2-yl)-2H-furan-5-one

C11H18O2 — CID 11063057

IUPAC4-methyl-2,3-di(propan-2-yl)-2H-furan-5-one
SMILESCC1=C(C(C)C)C(C(C)C)OC1=O
InChIInChI=1S/C11H18O2/c1-6(2)9-8(5)11(12)13-10(9)7(3)4/h6-7,10H,1-5H3
InChIKeyRRBWHDWRWRYQDZ-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.54
Rot. Bonds2

About 4-methyl-2,3-di(propan-2-yl)-2H-furan-5-one

4-methyl-2,3-di(propan-2-yl)-2H-furan-5-one (PubChem CID 11063057) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 4-methyl-2,3-di(propan-2-yl)-2H-furan-5-one.

Molecular Properties

Compound Name4-methyl-2,3-di(propan-2-yl)-2H-furan-5-one
PubChem CID11063057
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name4-methyl-2,3-di(propan-2-yl)-2H-furan-5-one
SMILESCC1=C(C(C)C)C(C(C)C)OC1=O
InChIInChI=1S/C11H18O2/c1-6(2)9-8(5)11(12)13-10(9)7(3)4/h6-7,10H,1-5H3
InChIKeyRRBWHDWRWRYQDZ-UHFFFAOYSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.54
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
5-Ethyl-3,4-dimethylfuran-2(5H)-one
CID 12680873
2-butyl-3,4-dimethyl-2H-furan-5-one
CID 67873447
Dihydrobovolide, (R)-
CID 11788657
Dihydrobovolide, (S)-
CID 12050368
2-butyl-4-methyl-3-pent-1-ynyl-2H-furan-5-one
CID 102050650
2,4-dimethyl-3-(2-methylprop-2-enyl)-2H-furan-5-one
CID 102162068
(2R)-4-chloro-3-methyl-2-(2-methylpropyl)-2H-furan-5-one
CID 134855738
ethyl (2Z)-2-(2,2,5-trimethylcyclopentylidene)propanoate
CID 134872571

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3-di(propan-2-yl)-2H-furan-5-one?
The IUPAC name of 4-methyl-2,3-di(propan-2-yl)-2H-furan-5-one (CID 11063057) is 4-methyl-2,3-di(propan-2-yl)-2H-furan-5-one.
What is the SMILES notation for 4-methyl-2,3-di(propan-2-yl)-2H-furan-5-one?
The canonical SMILES for 4-methyl-2,3-di(propan-2-yl)-2H-furan-5-one is CC1=C(C(C)C)C(C(C)C)OC1=O.
What is the InChIKey of 4-methyl-2,3-di(propan-2-yl)-2H-furan-5-one?
The InChIKey is RRBWHDWRWRYQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-6(2)9-8(5)11(12)13-10(9)7(3)4/h6-7,10H,1-5H3.
What are the key properties of 4-methyl-2,3-di(propan-2-yl)-2H-furan-5-one?
4-methyl-2,3-di(propan-2-yl)-2H-furan-5-one has a molecular weight of 182.26 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3-di(propan-2-yl)-2H-furan-5-one is sourced from PubChem (CID 11063057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).