ethyl 2-methylpent-3-enoate

C8H14O2 — CID 53428586

IUPACethyl 2-methylpent-3-enoate
SMILESCC=CC(C)C(=O)OCC
InChIInChI=1S/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h4,6-7H,5H2,1-3H3
InChIKeyHOWBPXBYCPKWBL-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.76
Rot. Bonds3

About ethyl 2-methylpent-3-enoate

ethyl 2-methylpent-3-enoate (PubChem CID 53428586) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is ethyl 2-methylpent-3-enoate.

Molecular Properties

Compound Nameethyl 2-methylpent-3-enoate
PubChem CID53428586
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Nameethyl 2-methylpent-3-enoate
SMILESCC=CC(C)C(=O)OCC
InChIInChI=1S/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h4,6-7H,5H2,1-3H3
InChIKeyHOWBPXBYCPKWBL-UHFFFAOYSA-N
XLogP1.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl 2-methylpent-3-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

5-ethoxy-4-methyl-5-oxopent-2-enoic acid
CID 54460089
butanoyl (E)-2-methylpent-3-eneperoxoate
CID 140796411
2-methylpent-3-enoyloxysulfanyl 2-methylpent-3-enoate
CID 91139961
ethyl 2-methylhexa-3,4-dienoate
CID 14173322
(E)-3-methyl-2-oxohex-4-enamide
CID 147197281
diethyl 2-methylpropanedioate;zirconium
CID 174876844
ethyl (Z)-2-methylhept-5-enoate
CID 88926981
ethyl N-[(E)-hex-4-en-3-yl]carbamate
CID 11030282
ethyl 2-methylpropanoate;formic acid
CID 175762228
ethyl (Z)-2,5-diaminohex-3-enoate
CID 154468821
ethyl (5S,6E)-3-amino-5-methylocta-2,6-dienoate
CID 173166035
ethyl 3-butylimino-2-methylpropanoate
CID 57183521

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylpent-3-enoate?
The IUPAC name of ethyl 2-methylpent-3-enoate (CID 53428586) is ethyl 2-methylpent-3-enoate.
What is the SMILES notation for ethyl 2-methylpent-3-enoate?
The canonical SMILES for ethyl 2-methylpent-3-enoate is CC=CC(C)C(=O)OCC.
What is the InChIKey of ethyl 2-methylpent-3-enoate?
The InChIKey is HOWBPXBYCPKWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h4,6-7H,5H2,1-3H3.
What are the key properties of ethyl 2-methylpent-3-enoate?
ethyl 2-methylpent-3-enoate has a molecular weight of 142.20 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylpent-3-enoate is sourced from PubChem (CID 53428586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).