ethyl 2,2-dimethyldeca-4,8-dienoate

C14H24O2 — CID 141012028

IUPACethyl 2,2-dimethyldeca-4,8-dienoate
SMILESCC=CCCC=CCC(C)(C)C(=O)OCC
InChIInChI=1S/C14H24O2/c1-5-7-8-9-10-11-12-14(3,4)13(15)16-6-2/h5,7,10-11H,6,8-9,12H2,1-4H3
InChIKeyGVUDXEVVHOLXDP-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.88
Rot. Bonds7

About ethyl 2,2-dimethyldeca-4,8-dienoate

ethyl 2,2-dimethyldeca-4,8-dienoate (PubChem CID 141012028) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is ethyl 2,2-dimethyldeca-4,8-dienoate.

Molecular Properties

Compound Nameethyl 2,2-dimethyldeca-4,8-dienoate
PubChem CID141012028
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Nameethyl 2,2-dimethyldeca-4,8-dienoate
SMILESCC=CCCC=CCC(C)(C)C(=O)OCC
InChIInChI=1S/C14H24O2/c1-5-7-8-9-10-11-12-14(3,4)13(15)16-6-2/h5,7,10-11H,6,8-9,12H2,1-4H3
InChIKeyGVUDXEVVHOLXDP-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl 2,2-dimethyldeca-4,8-dienoate 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 ethyl 2,2-dimethyldeca-4,8-dienoate?
The IUPAC name of ethyl 2,2-dimethyldeca-4,8-dienoate (CID 141012028) is ethyl 2,2-dimethyldeca-4,8-dienoate.
What is the SMILES notation for ethyl 2,2-dimethyldeca-4,8-dienoate?
The canonical SMILES for ethyl 2,2-dimethyldeca-4,8-dienoate is CC=CCCC=CCC(C)(C)C(=O)OCC.
What is the InChIKey of ethyl 2,2-dimethyldeca-4,8-dienoate?
The InChIKey is GVUDXEVVHOLXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-5-7-8-9-10-11-12-14(3,4)13(15)16-6-2/h5,7,10-11H,6,8-9,12H2,1-4H3.
What are the key properties of ethyl 2,2-dimethyldeca-4,8-dienoate?
ethyl 2,2-dimethyldeca-4,8-dienoate has a molecular weight of 224.34 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-dimethyldeca-4,8-dienoate is sourced from PubChem (CID 141012028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).