prop-2-enylperoxymethyl prop-2-enoate

C7H10O4 — CID 23533185

IUPACprop-2-enylperoxymethyl prop-2-enoate
SMILESC=CCOOCOC(=O)C=C
InChIInChI=1S/C7H10O4/c1-3-5-10-11-6-9-7(8)4-2/h3-4H,1-2,5-6H2
InChIKeyKGSQJNNZAPUULJ-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.81
Rot. Bonds6

About prop-2-enylperoxymethyl prop-2-enoate

prop-2-enylperoxymethyl prop-2-enoate (PubChem CID 23533185) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is prop-2-enylperoxymethyl prop-2-enoate.

Molecular Properties

Compound Nameprop-2-enylperoxymethyl prop-2-enoate
PubChem CID23533185
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Nameprop-2-enylperoxymethyl prop-2-enoate
SMILESC=CCOOCOC(=O)C=C
InChIInChI=1S/C7H10O4/c1-3-5-10-11-6-9-7(8)4-2/h3-4H,1-2,5-6H2
InChIKeyKGSQJNNZAPUULJ-UHFFFAOYSA-N
XLogP0.81
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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'}

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Related Compounds

4-prop-2-enylperoxybutyl prop-2-enoate
CID 20675769
methane;prop-2-enyl prop-2-enoate
CID 87568259
ethane-1,2-diol;prop-2-enoyloxymethyl prop-2-enoate
CID 138520908
buta-1,3-diene;prop-2-enyl prop-2-enoate
CID 87253709
2-prop-2-enylperoxypropyl prop-2-enoate
CID 89014347
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-hydroxyethoxymethyl prop-2-enoate
CID 140530940
hydroxymethyl prop-2-enoate;hydrate
CID 88522890
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl prop-2-enoate
CID 135130326
ethyl 3-prop-2-enoyloxy-2-prop-2-enylperoxypropanoate
CID 58091841
2-methylprop-2-enoxymethyl prop-2-enoate
CID 140613206
[2,2-bis(prop-2-enoxymethyl)-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 155625651

Frequently Asked Questions

What is the IUPAC name of prop-2-enylperoxymethyl prop-2-enoate?
The IUPAC name of prop-2-enylperoxymethyl prop-2-enoate (CID 23533185) is prop-2-enylperoxymethyl prop-2-enoate.
What is the SMILES notation for prop-2-enylperoxymethyl prop-2-enoate?
The canonical SMILES for prop-2-enylperoxymethyl prop-2-enoate is C=CCOOCOC(=O)C=C.
What is the InChIKey of prop-2-enylperoxymethyl prop-2-enoate?
The InChIKey is KGSQJNNZAPUULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-3-5-10-11-6-9-7(8)4-2/h3-4H,1-2,5-6H2.
What are the key properties of prop-2-enylperoxymethyl prop-2-enoate?
prop-2-enylperoxymethyl prop-2-enoate has a molecular weight of 158.15 g/mol, XLogP of 0.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enylperoxymethyl prop-2-enoate is sourced from PubChem (CID 23533185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).