4,4-dimethyl-3-methylidenepentanoic acid

C8H14O2 — CID 5282665

IUPAC4,4-dimethyl-3-methylidenepentanoic acid
SMILESC=C(CC(=O)O)C(C)(C)C
InChIInChI=1S/C8H14O2/c1-6(5-7(9)10)8(2,3)4/h1,5H2,2-4H3,(H,9,10)
InChIKeyFDWQCFNUKWFHGX-UHFFFAOYSA-N
MW142.20 g/mol
LogP2.06
Rot. Bonds2

About 4,4-dimethyl-3-methylidenepentanoic acid

4,4-dimethyl-3-methylidenepentanoic acid (PubChem CID 5282665) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4,4-dimethyl-3-methylidenepentanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-3-methylidenepentanoic acid
PubChem CID5282665
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4,4-dimethyl-3-methylidenepentanoic acid
SMILESC=C(CC(=O)O)C(C)(C)C
InChIInChI=1S/C8H14O2/c1-6(5-7(9)10)8(2,3)4/h1,5H2,2-4H3,(H,9,10)
InChIKeyFDWQCFNUKWFHGX-UHFFFAOYSA-N
XLogP2.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-methylidenepentanoic acid?
The IUPAC name of 4,4-dimethyl-3-methylidenepentanoic acid (CID 5282665) is 4,4-dimethyl-3-methylidenepentanoic acid.
What is the SMILES notation for 4,4-dimethyl-3-methylidenepentanoic acid?
The canonical SMILES for 4,4-dimethyl-3-methylidenepentanoic acid is C=C(CC(=O)O)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-3-methylidenepentanoic acid?
The InChIKey is FDWQCFNUKWFHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6(5-7(9)10)8(2,3)4/h1,5H2,2-4H3,(H,9,10).
What are the key properties of 4,4-dimethyl-3-methylidenepentanoic acid?
4,4-dimethyl-3-methylidenepentanoic acid has a molecular weight of 142.20 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-methylidenepentanoic acid is sourced from PubChem (CID 5282665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).