ethyl 2-propyloct-5-enoate

C13H24O2 — CID 140550038

IUPACethyl 2-propyloct-5-enoate
SMILESCCC=CCCC(CCC)C(=O)OCC
InChIInChI=1S/C13H24O2/c1-4-7-8-9-11-12(10-5-2)13(14)15-6-3/h7-8,12H,4-6,9-11H2,1-3H3
InChIKeyWFAIGXODSZFUSA-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.71
Rot. Bonds8

About ethyl 2-propyloct-5-enoate

ethyl 2-propyloct-5-enoate (PubChem CID 140550038) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is ethyl 2-propyloct-5-enoate.

Molecular Properties

Compound Nameethyl 2-propyloct-5-enoate
PubChem CID140550038
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Nameethyl 2-propyloct-5-enoate
SMILESCCC=CCCC(CCC)C(=O)OCC
InChIInChI=1S/C13H24O2/c1-4-7-8-9-11-12(10-5-2)13(14)15-6-3/h7-8,12H,4-6,9-11H2,1-3H3
InChIKeyWFAIGXODSZFUSA-UHFFFAOYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl 2-propyloct-5-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-propyltetradec-5-enoate
CID 154049027
ethyl 2-propyloctadec-5-enoate
CID 91292288
ethyl (4E,8Z,11Z,14Z,17Z)-2-propylicosa-4,8,11,14,17-pentaenoate
CID 59187782
ethene;ethyl 2-propylpentanoate
CID 160741230
dimethylsilyl 2-propyldec-7-enoate
CID 151592091
ethyl 2-ethyldocosa-7,10,13,16,19-pentaenoate
CID 72538130
ethyl 2-methylsulfanylicosa-5,8,11,14,17-pentaenoate
CID 72538142
ethyl (5Z,8Z,11Z,14Z,17Z)-2-propoxyicosa-5,8,11,14,17-pentaenoate
CID 59187767
ethyl (9Z,12Z,15Z)-2-ethyloctadeca-9,12,15-trienoate
CID 59187765
ethyl 2-propyl-5-sulfanylidenehexanoate
CID 174809419
ethyl 2-(2-sulfanylideneethyl)docosa-7,10,13,16,19-pentaenoate
CID 91190100
(5Z)-2-ethylicosa-5,8,11,14,17-pentaenoic acid
CID 175828480

Frequently Asked Questions

What is the IUPAC name of ethyl 2-propyloct-5-enoate?
The IUPAC name of ethyl 2-propyloct-5-enoate (CID 140550038) is ethyl 2-propyloct-5-enoate.
What is the SMILES notation for ethyl 2-propyloct-5-enoate?
The canonical SMILES for ethyl 2-propyloct-5-enoate is CCC=CCCC(CCC)C(=O)OCC.
What is the InChIKey of ethyl 2-propyloct-5-enoate?
The InChIKey is WFAIGXODSZFUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-7-8-9-11-12(10-5-2)13(14)15-6-3/h7-8,12H,4-6,9-11H2,1-3H3.
What are the key properties of ethyl 2-propyloct-5-enoate?
ethyl 2-propyloct-5-enoate has a molecular weight of 212.33 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-propyloct-5-enoate is sourced from PubChem (CID 140550038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).