2-(prop-2-enoyloxymethyl)prop-2-enyl prop-2-enoate

C10H12O4 — CID 87837964

IUPAC2-(prop-2-enoyloxymethyl)prop-2-enyl prop-2-enoate
SMILESC=CC(=O)OCC(=C)COC(=O)C=C
InChIInChI=1S/C10H12O4/c1-4-9(11)13-6-8(3)7-14-10(12)5-2/h4-5H,1-3,6-7H2
InChIKeyWFAYNRJFYMCACX-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.00
Rot. Bonds6

About 2-(prop-2-enoyloxymethyl)prop-2-enyl prop-2-enoate

2-(prop-2-enoyloxymethyl)prop-2-enyl prop-2-enoate (PubChem CID 87837964) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-(prop-2-enoyloxymethyl)prop-2-enyl prop-2-enoate.

Molecular Properties

Compound Name2-(prop-2-enoyloxymethyl)prop-2-enyl prop-2-enoate
PubChem CID87837964
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name2-(prop-2-enoyloxymethyl)prop-2-enyl prop-2-enoate
SMILESC=CC(=O)OCC(=C)COC(=O)C=C
InChIInChI=1S/C10H12O4/c1-4-9(11)13-6-8(3)7-14-10(12)5-2/h4-5H,1-3,6-7H2
InChIKeyWFAYNRJFYMCACX-UHFFFAOYSA-N
XLogP1.00
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methane;2-oxobut-3-enyl prop-2-enoate
CID 161424995
(4-methyl-2-oxopentyl) prop-2-enoate
CID 58048888
buta-2,3-dienyl prop-2-enoate
CID 91383520
(2-ethenoxy-2-oxoethyl) prop-2-enoate
CID 18411317
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
[2-(methylamino)-2-oxoethyl] prop-2-enoate
CID 141279925
methane;prop-2-enyl prop-2-enoate
CID 87568259
hydroxymethyl prop-2-enoate;hydrate
CID 88522890
[(E)-2-oxopent-3-enyl] prop-2-enoate
CID 141312744
(2-hydroxy-3-prop-2-enoyloxyprop-2-enyl) prop-2-enoate
CID 175362972
2-methylprop-2-enoxymethyl prop-2-enoate
CID 140613206
ethyl prop-2-enoate;sulfane
CID 157093783

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enoyloxymethyl)prop-2-enyl prop-2-enoate?
The IUPAC name of 2-(prop-2-enoyloxymethyl)prop-2-enyl prop-2-enoate (CID 87837964) is 2-(prop-2-enoyloxymethyl)prop-2-enyl prop-2-enoate.
What is the SMILES notation for 2-(prop-2-enoyloxymethyl)prop-2-enyl prop-2-enoate?
The canonical SMILES for 2-(prop-2-enoyloxymethyl)prop-2-enyl prop-2-enoate is C=CC(=O)OCC(=C)COC(=O)C=C.
What is the InChIKey of 2-(prop-2-enoyloxymethyl)prop-2-enyl prop-2-enoate?
The InChIKey is WFAYNRJFYMCACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-4-9(11)13-6-8(3)7-14-10(12)5-2/h4-5H,1-3,6-7H2.
What are the key properties of 2-(prop-2-enoyloxymethyl)prop-2-enyl prop-2-enoate?
2-(prop-2-enoyloxymethyl)prop-2-enyl prop-2-enoate has a molecular weight of 196.20 g/mol, XLogP of 1.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enoyloxymethyl)prop-2-enyl prop-2-enoate is sourced from PubChem (CID 87837964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).