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

C14H24O2 — CID 140961699

IUPAC4-tert-butyl-2,3-di(propan-2-yl)-2H-furan-5-one
SMILESCC(C)C1=C(C(C)(C)C)C(=O)OC1C(C)C
InChIInChI=1S/C14H24O2/c1-8(2)10-11(14(5,6)7)13(15)16-12(10)9(3)4/h8-9,12H,1-7H3
InChIKeyZBNLURQAKLOFEW-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.57
Rot. Bonds2

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

4-tert-butyl-2,3-di(propan-2-yl)-2H-furan-5-one (PubChem CID 140961699) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 4-tert-butyl-2,3-di(propan-2-yl)-2H-furan-5-one.

Molecular Properties

Compound Name4-tert-butyl-2,3-di(propan-2-yl)-2H-furan-5-one
PubChem CID140961699
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name4-tert-butyl-2,3-di(propan-2-yl)-2H-furan-5-one
SMILESCC(C)C1=C(C(C)(C)C)C(=O)OC1C(C)C
InChIInChI=1S/C14H24O2/c1-8(2)10-11(14(5,6)7)13(15)16-12(10)9(3)4/h8-9,12H,1-7H3
InChIKeyZBNLURQAKLOFEW-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-2,3-di(propan-2-yl)-2H-furan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-butyl-3,4-dimethyl-2H-furan-5-one
CID 67873447
2,4-ditert-butyl-2H-furan-5-one
CID 12383528
ethyl (2Z)-2-(2,2,5-trimethylcyclopentylidene)propanoate
CID 134872571
2-cyclopropyl-3,4-dipropyl-2H-furan-5-one
CID 15074429
2-butan-2-yl-3,4-dimethyl-2H-furan-5-one
CID 20596712
5-Tert-butyl-2,4-dimethyl-2,3-dihydropyran-6-one
CID 20761809
4,5-Dimethyl-2-propan-2-yl-2,3-dihydropyran-6-one
CID 25215392
(E)-4-ethyl-6-methoxy-2,2,5-trimethylhept-4-en-3-one
CID 57018841
Propan-2-yl 4-methyl-2,3-di(propan-2-yl)pent-2-enoate
CID 58526747
5,5-Dimethyl-3,4-di(propan-2-yl)furan-2-one
CID 58874383
2,4-dimethyl-3-(2-methylpropyl)-2H-furan-5-one
CID 59125818
3,4-ditert-butyl-2H-furan-5-one
CID 59206947

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,3-di(propan-2-yl)-2H-furan-5-one?
The IUPAC name of 4-tert-butyl-2,3-di(propan-2-yl)-2H-furan-5-one (CID 140961699) is 4-tert-butyl-2,3-di(propan-2-yl)-2H-furan-5-one.
What is the SMILES notation for 4-tert-butyl-2,3-di(propan-2-yl)-2H-furan-5-one?
The canonical SMILES for 4-tert-butyl-2,3-di(propan-2-yl)-2H-furan-5-one is CC(C)C1=C(C(C)(C)C)C(=O)OC1C(C)C.
What is the InChIKey of 4-tert-butyl-2,3-di(propan-2-yl)-2H-furan-5-one?
The InChIKey is ZBNLURQAKLOFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-8(2)10-11(14(5,6)7)13(15)16-12(10)9(3)4/h8-9,12H,1-7H3.
What are the key properties of 4-tert-butyl-2,3-di(propan-2-yl)-2H-furan-5-one?
4-tert-butyl-2,3-di(propan-2-yl)-2H-furan-5-one has a molecular weight of 224.34 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,3-di(propan-2-yl)-2H-furan-5-one is sourced from PubChem (CID 140961699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).