ethyl 2-methoxypent-4-enoate

C8H14O3 — CID 155746848

IUPACethyl 2-methoxypent-4-enoate
SMILESC=CCC(OC)C(=O)OCC
InChIInChI=1S/C8H14O3/c1-4-6-7(10-3)8(9)11-5-2/h4,7H,1,5-6H2,2-3H3
InChIKeyFWZHYPJTQNDCNF-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.14
Rot. Bonds5

About ethyl 2-methoxypent-4-enoate

ethyl 2-methoxypent-4-enoate (PubChem CID 155746848) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is ethyl 2-methoxypent-4-enoate.

Molecular Properties

Compound Nameethyl 2-methoxypent-4-enoate
PubChem CID155746848
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Nameethyl 2-methoxypent-4-enoate
SMILESC=CCC(OC)C(=O)OCC
InChIInChI=1S/C8H14O3/c1-4-6-7(10-3)8(9)11-5-2/h4,7H,1,5-6H2,2-3H3
InChIKeyFWZHYPJTQNDCNF-UHFFFAOYSA-N
XLogP1.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-methoxypent-4-enoate 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-hydroxypent-4-enoate
CID 10986362
4-Pentenoic acid isopropyl ester
CID 143866
Ethyl 2-(but-3-en-1-yloxy)acetate
CID 13005697
ethyl (2S)-2-hydroxypent-4-enoate
CID 13641069
ethyl 3,4-dihydro-2H-pyran-2-carboxylate
CID 237392
Ethyl 2-oxopent-4-enoate
CID 18370981
3-(Prop-2-en-1-yl)-1,4-dioxane-2,5-dione
CID 68861545
Methyl 2-fluoro-2-methoxypent-4-enoate
CID 53776165
Butanoic acid, 1-methyl-3-butenyl ester
CID 527669
(3R,5S,6S)-5,6-dimethoxy-5,6-dimethyl-3-prop-2-enyl-1,4-dioxan-2-one
CID 11424723
methyl (2S)-2-acetyloxypent-4-enoate
CID 11513826
Methyl 2,2-dimethoxypent-4-enoate
CID 12456496

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxypent-4-enoate?
The IUPAC name of ethyl 2-methoxypent-4-enoate (CID 155746848) is ethyl 2-methoxypent-4-enoate.
What is the SMILES notation for ethyl 2-methoxypent-4-enoate?
The canonical SMILES for ethyl 2-methoxypent-4-enoate is C=CCC(OC)C(=O)OCC.
What is the InChIKey of ethyl 2-methoxypent-4-enoate?
The InChIKey is FWZHYPJTQNDCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-4-6-7(10-3)8(9)11-5-2/h4,7H,1,5-6H2,2-3H3.
What are the key properties of ethyl 2-methoxypent-4-enoate?
ethyl 2-methoxypent-4-enoate has a molecular weight of 158.20 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxypent-4-enoate is sourced from PubChem (CID 155746848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).