(E)-2,2-dimethylhex-4-enoic acid

C8H14O2 — CID 12923899

IUPAC(E)-2,2-dimethylhex-4-enoic acid
SMILESC/C=C/CC(C)(C)C(=O)O
InChIInChI=1S/C8H14O2/c1-4-5-6-8(2,3)7(9)10/h4-5H,6H2,1-3H3,(H,9,10)/b5-4+
InChIKeyQUMUREQGSRMVFQ-SNAWJCMRSA-N
MW142.20 g/mol
LogP2.06
Rot. Bonds3

About (E)-2,2-dimethylhex-4-enoic acid

(E)-2,2-dimethylhex-4-enoic acid (PubChem CID 12923899) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (E)-2,2-dimethylhex-4-enoic acid.

Molecular Properties

Compound Name(E)-2,2-dimethylhex-4-enoic acid
PubChem CID12923899
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(E)-2,2-dimethylhex-4-enoic acid
SMILESC/C=C/CC(C)(C)C(=O)O
InChIInChI=1S/C8H14O2/c1-4-5-6-8(2,3)7(9)10/h4-5H,6H2,1-3H3,(H,9,10)/b5-4+
InChIKeyQUMUREQGSRMVFQ-SNAWJCMRSA-N
XLogP2.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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'}

Analyze (E)-2,2-dimethylhex-4-enoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-2,2-dimethylhex-4-enoic acid?
The IUPAC name of (E)-2,2-dimethylhex-4-enoic acid (CID 12923899) is (E)-2,2-dimethylhex-4-enoic acid.
What is the SMILES notation for (E)-2,2-dimethylhex-4-enoic acid?
The canonical SMILES for (E)-2,2-dimethylhex-4-enoic acid is C/C=C/CC(C)(C)C(=O)O.
What is the InChIKey of (E)-2,2-dimethylhex-4-enoic acid?
The InChIKey is QUMUREQGSRMVFQ-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-5-6-8(2,3)7(9)10/h4-5H,6H2,1-3H3,(H,9,10)/b5-4+.
What are the key properties of (E)-2,2-dimethylhex-4-enoic acid?
(E)-2,2-dimethylhex-4-enoic acid has a molecular weight of 142.20 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2-dimethylhex-4-enoic acid is sourced from PubChem (CID 12923899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).