5,5-dimethyl-4-methylidenehexanoic acid

C9H16O2 — CID 91113247

IUPAC5,5-dimethyl-4-methylidenehexanoic acid
SMILESC=C(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C9H16O2/c1-7(9(2,3)4)5-6-8(10)11/h1,5-6H2,2-4H3,(H,10,11)
InChIKeyUYBKQNMWDXVBDZ-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.45
Rot. Bonds3

About 5,5-dimethyl-4-methylidenehexanoic acid

5,5-dimethyl-4-methylidenehexanoic acid (PubChem CID 91113247) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 5,5-dimethyl-4-methylidenehexanoic acid.

Molecular Properties

Compound Name5,5-dimethyl-4-methylidenehexanoic acid
PubChem CID91113247
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name5,5-dimethyl-4-methylidenehexanoic acid
SMILESC=C(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C9H16O2/c1-7(9(2,3)4)5-6-8(10)11/h1,5-6H2,2-4H3,(H,10,11)
InChIKeyUYBKQNMWDXVBDZ-UHFFFAOYSA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5,5-dimethyl-4-methylidenehexanoic acid 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

2,2-Dimethylhept-6-enoic acid
CID 15680403
2,2,4-trimethylpent-4-enoic Acid
CID 10920617
3-Ethenyl-3,7-dimethyloct-6-enoic acid
CID 13128171
1-Methyl-3-methylidenecyclopentane-1-carboxylic acid
CID 18614396
3-tert-Butyl-3-butenoic acid
CID 5282665
5-Methyl-4-methylidenehexanoic acid
CID 11344073
2-Ethenyl-2-methylhexanoic acid
CID 15355373
2-Methyl-5-methylenehexanoic acid
CID 23180147
2,2-Dimethyloct-6-enoic acid
CID 123595845
3,3,5-Trimethylhex-5-enoic acid
CID 12676512
4,4-Dimethylhept-6-enoic acid
CID 13276152
6-Fluoro-5,5-bis(fluoromethyl)-4-(oxomethylidene)hexanoic acid
CID 141110172

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-methylidenehexanoic acid?
The IUPAC name of 5,5-dimethyl-4-methylidenehexanoic acid (CID 91113247) is 5,5-dimethyl-4-methylidenehexanoic acid.
What is the SMILES notation for 5,5-dimethyl-4-methylidenehexanoic acid?
The canonical SMILES for 5,5-dimethyl-4-methylidenehexanoic acid is C=C(CCC(=O)O)C(C)(C)C.
What is the InChIKey of 5,5-dimethyl-4-methylidenehexanoic acid?
The InChIKey is UYBKQNMWDXVBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7(9(2,3)4)5-6-8(10)11/h1,5-6H2,2-4H3,(H,10,11).
What are the key properties of 5,5-dimethyl-4-methylidenehexanoic acid?
5,5-dimethyl-4-methylidenehexanoic acid has a molecular weight of 156.22 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-methylidenehexanoic acid is sourced from PubChem (CID 91113247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).