5-(2,2-dimethylpropyl)-3,3-dimethylfuran-2-one

C11H18O2 — CID 13333595

IUPAC5-(2,2-dimethylpropyl)-3,3-dimethylfuran-2-one
SMILESCC(C)(C)CC1=CC(C)(C)C(=O)O1
InChIInChI=1S/C11H18O2/c1-10(2,3)6-8-7-11(4,5)9(12)13-8/h7H,6H2,1-5H3
InChIKeyJGNUHDCFHLTHLE-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.89
Rot. Bonds1

About 5-(2,2-dimethylpropyl)-3,3-dimethylfuran-2-one

5-(2,2-dimethylpropyl)-3,3-dimethylfuran-2-one (PubChem CID 13333595) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-3,3-dimethylfuran-2-one.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-3,3-dimethylfuran-2-one
PubChem CID13333595
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name5-(2,2-dimethylpropyl)-3,3-dimethylfuran-2-one
SMILESCC(C)(C)CC1=CC(C)(C)C(=O)O1
InChIInChI=1S/C11H18O2/c1-10(2,3)6-8-7-11(4,5)9(12)13-8/h7H,6H2,1-5H3
InChIKeyJGNUHDCFHLTHLE-UHFFFAOYSA-N
XLogP2.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(2,2-dimethylpropyl)-3,3-dimethylfuran-2-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

5-Propyl-2(3H)-furanone
CID 213509
2(3H)-Furanone, 5-(1,1-dimethylethyl)-
CID 140632
5-(3-Methylbutyl)-2(3H)-furanone
CID 3028407
4,4,6-Trimethyl-3,4-dihydro-pyran-2-one
CID 12417671
3,5-ditert-butyl-3H-furan-2-one
CID 59168586
Non-3-en-4-yl 3,3-dimethylbutyrate
CID 74013332
4-Ethenyl-4-methyl-5-propan-2-ylideneoxolan-2-one
CID 12529940
(5Z)-3,3-dimethyl-5-propylideneoxolan-2-one
CID 24864796
Cyclopentenyl pivaloate
CID 54506131
[(4Z)-5,6,6-trimethylhepta-1,4-dien-4-yl] acetate
CID 101924113
(6r)-Acetoxy-4,11,11-trimethyl-1,4,8-cycloundecatriene
CID 129653519
[(4E)-5,6,6-trimethylhepta-1,4-dien-4-yl] acetate
CID 134919375

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-3,3-dimethylfuran-2-one?
The IUPAC name of 5-(2,2-dimethylpropyl)-3,3-dimethylfuran-2-one (CID 13333595) is 5-(2,2-dimethylpropyl)-3,3-dimethylfuran-2-one.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-3,3-dimethylfuran-2-one?
The canonical SMILES for 5-(2,2-dimethylpropyl)-3,3-dimethylfuran-2-one is CC(C)(C)CC1=CC(C)(C)C(=O)O1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-3,3-dimethylfuran-2-one?
The InChIKey is JGNUHDCFHLTHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-10(2,3)6-8-7-11(4,5)9(12)13-8/h7H,6H2,1-5H3.
What are the key properties of 5-(2,2-dimethylpropyl)-3,3-dimethylfuran-2-one?
5-(2,2-dimethylpropyl)-3,3-dimethylfuran-2-one has a molecular weight of 182.26 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-3,3-dimethylfuran-2-one is sourced from PubChem (CID 13333595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).