ethyl 2-propylhexa-3,4-dienoate

C11H18O2 — CID 121217079

IUPACethyl 2-propylhexa-3,4-dienoate
SMILESCC=C=CC(CCC)C(=O)OCC
InChIInChI=1S/C11H18O2/c1-4-7-9-10(8-5-2)11(12)13-6-3/h4,9-10H,5-6,8H2,1-3H3
InChIKeyIDDQCLFBHAANBV-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.70
Rot. Bonds5

About ethyl 2-propylhexa-3,4-dienoate

ethyl 2-propylhexa-3,4-dienoate (PubChem CID 121217079) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is ethyl 2-propylhexa-3,4-dienoate.

Molecular Properties

Compound Nameethyl 2-propylhexa-3,4-dienoate
PubChem CID121217079
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nameethyl 2-propylhexa-3,4-dienoate
SMILESCC=C=CC(CCC)C(=O)OCC
InChIInChI=1S/C11H18O2/c1-4-7-9-10(8-5-2)11(12)13-6-3/h4,9-10H,5-6,8H2,1-3H3
InChIKeyIDDQCLFBHAANBV-UHFFFAOYSA-N
XLogP2.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl 2-propylhexa-3,4-dienoate 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

ethyl 2-methylhexa-3,4-dienoate
CID 14173322
diethyl 2-[(4S)-hepta-1,2-dien-4-yl]propanedioate
CID 134966061
ethyl 2-formylheptanoate
CID 13330717
ethyl 2-methylpent-3-enoate
CID 53428586
ethene;ethyl 2-propylpentanoate
CID 160741230
2-propylpenta-3,4-dienoic acid
CID 55302925
[(2S)-1-ethoxy-1-oxopentan-2-yl]azanium chloride
CID 11194687
ethyl 2-[[formyl(methyl)amino]methyl]pentanoate
CID 59611373
ethyl 2-ethylidene-3-methylheptanoate
CID 86741679
diethyl 2-(5-methylhexa-2,3-dienyl)propanedioate
CID 102302828
3-ethoxycarbonylpent-4-enoic acid
CID 174635447
ethyl 2-methanimidoylbutanoate
CID 90815324

Frequently Asked Questions

What is the IUPAC name of ethyl 2-propylhexa-3,4-dienoate?
The IUPAC name of ethyl 2-propylhexa-3,4-dienoate (CID 121217079) is ethyl 2-propylhexa-3,4-dienoate.
What is the SMILES notation for ethyl 2-propylhexa-3,4-dienoate?
The canonical SMILES for ethyl 2-propylhexa-3,4-dienoate is CC=C=CC(CCC)C(=O)OCC.
What is the InChIKey of ethyl 2-propylhexa-3,4-dienoate?
The InChIKey is IDDQCLFBHAANBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-7-9-10(8-5-2)11(12)13-6-3/h4,9-10H,5-6,8H2,1-3H3.
What are the key properties of ethyl 2-propylhexa-3,4-dienoate?
ethyl 2-propylhexa-3,4-dienoate has a molecular weight of 182.26 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-propylhexa-3,4-dienoate is sourced from PubChem (CID 121217079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).