3,3-dimethyl-5-methylideneheptanoic acid

C10H18O2 — CID 81004122

IUPAC3,3-dimethyl-5-methylideneheptanoic acid
SMILESC=C(CC)CC(C)(C)CC(=O)O
InChIInChI=1S/C10H18O2/c1-5-8(2)6-10(3,4)7-9(11)12/h2,5-7H2,1,3-4H3,(H,11,12)
InChIKeyWPEHBZBUAIYMME-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.84
Rot. Bonds5

About 3,3-dimethyl-5-methylideneheptanoic acid

3,3-dimethyl-5-methylideneheptanoic acid (PubChem CID 81004122) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3,3-dimethyl-5-methylideneheptanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-5-methylideneheptanoic acid
PubChem CID81004122
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3,3-dimethyl-5-methylideneheptanoic acid
SMILESC=C(CC)CC(C)(C)CC(=O)O
InChIInChI=1S/C10H18O2/c1-5-8(2)6-10(3,4)7-9(11)12/h2,5-7H2,1,3-4H3,(H,11,12)
InChIKeyWPEHBZBUAIYMME-UHFFFAOYSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,3-dimethyl-5-methylideneheptanoic 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

3,3-dimethyl-5-oxohexanoic acid
CID 11332610
methane;2,5,5-trimethyl-3,7-dimethylidenenonane
CID 160593852
3,3-dimethyloctanoic acid
CID 20501381
3,3-dimethylnonanoic acid
CID 5282685
4-amino-3,3-dimethylbutanoic acid
CID 910834
4,4-dimethyl-6-methylideneoctan-2-amine
CID 66038569
4-(carboxyamino)-3,3-dimethylbutanoic acid
CID 122599753
3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 15631255
manganese;3,3,5,5-tetramethylhexanoic acid
CID 139596893
3,3-dimethyl-5-methylidene-N-propylheptan-1-amine
CID 81021780
5-hydroxy-3,3-dimethylheptanoic acid
CID 18717526
5-ethylsulfonyl-3,3-dimethylpentanoic acid
CID 106735284

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-methylideneheptanoic acid?
The IUPAC name of 3,3-dimethyl-5-methylideneheptanoic acid (CID 81004122) is 3,3-dimethyl-5-methylideneheptanoic acid.
What is the SMILES notation for 3,3-dimethyl-5-methylideneheptanoic acid?
The canonical SMILES for 3,3-dimethyl-5-methylideneheptanoic acid is C=C(CC)CC(C)(C)CC(=O)O.
What is the InChIKey of 3,3-dimethyl-5-methylideneheptanoic acid?
The InChIKey is WPEHBZBUAIYMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-8(2)6-10(3,4)7-9(11)12/h2,5-7H2,1,3-4H3,(H,11,12).
What are the key properties of 3,3-dimethyl-5-methylideneheptanoic acid?
3,3-dimethyl-5-methylideneheptanoic acid has a molecular weight of 170.25 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-methylideneheptanoic acid is sourced from PubChem (CID 81004122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).