ethenyl acetate;octyl prop-2-enoate

C15H26O4 — CID 22497770

IUPACethenyl acetate;octyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCC.C=COC(C)=O
InChIInChI=1S/C11H20O2.C4H6O2/c1-3-5-6-7-8-9-10-13-11(12)4-2;1-3-6-4(2)5/h4H,2-3,5-10H2,1H3;3H,1H2,2H3
InChIKeyVELHQZPXMWZFCR-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.77
Rot. Bonds9

About ethenyl acetate;octyl prop-2-enoate

ethenyl acetate;octyl prop-2-enoate (PubChem CID 22497770) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethenyl acetate;octyl prop-2-enoate.

Molecular Properties

Compound Nameethenyl acetate;octyl prop-2-enoate
PubChem CID22497770
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Nameethenyl acetate;octyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCC.C=COC(C)=O
InChIInChI=1S/C11H20O2.C4H6O2/c1-3-5-6-7-8-9-10-13-11(12)4-2;1-3-6-4(2)5/h4H,2-3,5-10H2,1H3;3H,1H2,2H3
InChIKeyVELHQZPXMWZFCR-UHFFFAOYSA-N
XLogP3.77
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethenyl acetate;octyl prop-2-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

butyl prop-2-enoate;ethenyl acetate
CID 23373234
pentatriacontyl prop-2-enoate
CID 141309454
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
decyl prop-2-enoate
CID 162172023
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283
butyl prop-2-enoate;ethenyl acetate;2-hydroxyethyl prop-2-enoate
CID 158722380
butyl prop-2-enoate;ethenyl acetate;2-methylprop-2-enoic acid
CID 159202277
4-decoxy-4-oxobut-2-enoic acid;ethenyl acetate
CID 162224725
hexadecyl prop-2-enoate;hydrofluoride
CID 159337716

Frequently Asked Questions

What is the IUPAC name of ethenyl acetate;octyl prop-2-enoate?
The IUPAC name of ethenyl acetate;octyl prop-2-enoate (CID 22497770) is ethenyl acetate;octyl prop-2-enoate.
What is the SMILES notation for ethenyl acetate;octyl prop-2-enoate?
The canonical SMILES for ethenyl acetate;octyl prop-2-enoate is C=CC(=O)OCCCCCCCC.C=COC(C)=O.
What is the InChIKey of ethenyl acetate;octyl prop-2-enoate?
The InChIKey is VELHQZPXMWZFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2.C4H6O2/c1-3-5-6-7-8-9-10-13-11(12)4-2;1-3-6-4(2)5/h4H,2-3,5-10H2,1H3;3H,1H2,2H3.
What are the key properties of ethenyl acetate;octyl prop-2-enoate?
ethenyl acetate;octyl prop-2-enoate has a molecular weight of 270.37 g/mol, XLogP of 3.77, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl acetate;octyl prop-2-enoate is sourced from PubChem (CID 22497770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).