4-prop-2-enylperoxybutyl prop-2-enoate

C10H16O4 — CID 20675769

IUPAC4-prop-2-enylperoxybutyl prop-2-enoate
SMILESC=CCOOCCCCOC(=O)C=C
InChIInChI=1S/C10H16O4/c1-3-7-13-14-9-6-5-8-12-10(11)4-2/h3-4H,1-2,5-9H2
InChIKeyQBGDRWWCDBIWNE-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.63
Rot. Bonds9

About 4-prop-2-enylperoxybutyl prop-2-enoate

4-prop-2-enylperoxybutyl prop-2-enoate (PubChem CID 20675769) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 4-prop-2-enylperoxybutyl prop-2-enoate.

Molecular Properties

Compound Name4-prop-2-enylperoxybutyl prop-2-enoate
PubChem CID20675769
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name4-prop-2-enylperoxybutyl prop-2-enoate
SMILESC=CCOOCCCCOC(=O)C=C
InChIInChI=1S/C10H16O4/c1-3-7-13-14-9-6-5-8-12-10(11)4-2/h3-4H,1-2,5-9H2
InChIKeyQBGDRWWCDBIWNE-UHFFFAOYSA-N
XLogP1.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
prop-2-enylperoxymethyl prop-2-enoate
CID 23533185
3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate
CID 151846925
11-hydroxyundecyl prop-2-enoate
CID 54223498
4-methoxybutyl prop-2-enoate
CID 22321356
2-[2-[2-[6-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 101134249
4-[1,2,2-tris(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
CID 134465338
10-hydroxydecyl prop-2-enoate
CID 14715958
19-hydroxynonadecyl prop-2-enoate
CID 20625688
12-hydroxydodecyl prop-2-enoate
CID 19859974

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enylperoxybutyl prop-2-enoate?
The IUPAC name of 4-prop-2-enylperoxybutyl prop-2-enoate (CID 20675769) is 4-prop-2-enylperoxybutyl prop-2-enoate.
What is the SMILES notation for 4-prop-2-enylperoxybutyl prop-2-enoate?
The canonical SMILES for 4-prop-2-enylperoxybutyl prop-2-enoate is C=CCOOCCCCOC(=O)C=C.
What is the InChIKey of 4-prop-2-enylperoxybutyl prop-2-enoate?
The InChIKey is QBGDRWWCDBIWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-3-7-13-14-9-6-5-8-12-10(11)4-2/h3-4H,1-2,5-9H2.
What are the key properties of 4-prop-2-enylperoxybutyl prop-2-enoate?
4-prop-2-enylperoxybutyl prop-2-enoate has a molecular weight of 200.23 g/mol, XLogP of 1.63, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylperoxybutyl prop-2-enoate is sourced from PubChem (CID 20675769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).