2-prop-2-enylperoxypropyl prop-2-enoate

C9H14O4 — CID 89014347

IUPAC2-prop-2-enylperoxypropyl prop-2-enoate
SMILESC=CCOOC(C)COC(=O)C=C
InChIInChI=1S/C9H14O4/c1-4-6-12-13-8(3)7-11-9(10)5-2/h4-5,8H,1-2,6-7H2,3H3
InChIKeyWWNRCVZAKXZQCV-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.24
Rot. Bonds7

About 2-prop-2-enylperoxypropyl prop-2-enoate

2-prop-2-enylperoxypropyl prop-2-enoate (PubChem CID 89014347) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-prop-2-enylperoxypropyl prop-2-enoate.

Molecular Properties

Compound Name2-prop-2-enylperoxypropyl prop-2-enoate
PubChem CID89014347
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name2-prop-2-enylperoxypropyl prop-2-enoate
SMILESC=CCOOC(C)COC(=O)C=C
InChIInChI=1S/C9H14O4/c1-4-6-12-13-8(3)7-11-9(10)5-2/h4-5,8H,1-2,6-7H2,3H3
InChIKeyWWNRCVZAKXZQCV-UHFFFAOYSA-N
XLogP1.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.24
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

ethyl 3-prop-2-enoyloxy-2-prop-2-enylperoxypropanoate
CID 58091841
methane;2-prop-2-enoyloxypropyl prop-2-enoate
CID 161351901
2-[[2-(hydroperoxymethyl)cyclohexyl]methylperoxy]propyl prop-2-enoate
CID 20675751
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 139889526
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 121420632
2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propyl prop-2-enoate
CID 21458421
1-O-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yl] 2-O-[1-(1-prop-2-enoyloxypropan-2-yloxy)propan-2-yl] oxalate
CID 146180705
2,4-dimethylpent-3-enyl prop-2-enoate
CID 174401913
(2-phenyl-2-prop-2-enylperoxyethyl) prop-2-enoate
CID 58091840
2-[2,3-bis(1-prop-2-enoyloxypropan-2-yloxy)propoxy]propyl prop-2-enoate
CID 138059610
[2-methyl-3-(2-methyl-3-prop-2-enoyloxypropoxy)carbonyloxypropyl] prop-2-enoate
CID 139835678
prop-2-enylperoxymethyl prop-2-enoate
CID 23533185

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylperoxypropyl prop-2-enoate?
The IUPAC name of 2-prop-2-enylperoxypropyl prop-2-enoate (CID 89014347) is 2-prop-2-enylperoxypropyl prop-2-enoate.
What is the SMILES notation for 2-prop-2-enylperoxypropyl prop-2-enoate?
The canonical SMILES for 2-prop-2-enylperoxypropyl prop-2-enoate is C=CCOOC(C)COC(=O)C=C.
What is the InChIKey of 2-prop-2-enylperoxypropyl prop-2-enoate?
The InChIKey is WWNRCVZAKXZQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-4-6-12-13-8(3)7-11-9(10)5-2/h4-5,8H,1-2,6-7H2,3H3.
What are the key properties of 2-prop-2-enylperoxypropyl prop-2-enoate?
2-prop-2-enylperoxypropyl prop-2-enoate has a molecular weight of 186.21 g/mol, XLogP of 1.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylperoxypropyl prop-2-enoate is sourced from PubChem (CID 89014347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).