ethyl 2-formyloxyprop-2-enoate

C6H8O4 — CID 134335500

IUPACethyl 2-formyloxyprop-2-enoate
SMILESC=C(OC=O)C(=O)OCC
InChIInChI=1S/C6H8O4/c1-3-9-6(8)5(2)10-4-7/h4H,2-3H2,1H3
InChIKeyPVIDBUNKOVRPNA-UHFFFAOYSA-N
MW144.13 g/mol
LogP0.24
Rot. Bonds4

About ethyl 2-formyloxyprop-2-enoate

ethyl 2-formyloxyprop-2-enoate (PubChem CID 134335500) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is ethyl 2-formyloxyprop-2-enoate.

Molecular Properties

Compound Nameethyl 2-formyloxyprop-2-enoate
PubChem CID134335500
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Nameethyl 2-formyloxyprop-2-enoate
SMILESC=C(OC=O)C(=O)OCC
InChIInChI=1S/C6H8O4/c1-3-9-6(8)5(2)10-4-7/h4H,2-3H2,1H3
InChIKeyPVIDBUNKOVRPNA-UHFFFAOYSA-N
XLogP0.24
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diethyl 2-methylidenepropanedioate;mercury
CID 174815236
(3-ethoxy-3-oxoprop-1-en-2-yl) 2-methylidenebutanoate
CID 67864826
1-O-ethyl 4-O-formyl butanedioate
CID 91193992
ethyl 2-(ethoxymethoxy)prop-2-enoate
CID 12870084
ethyl 2-methylprop-2-enoate
CID 130475774
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
ethyl 2-methylprop-2-enoate;methane
CID 159235789
CID 159370772
CID 159370772
ethyl 2-methylprop-2-enoate;N-methylformamide
CID 158565771
ethenol;ethyl 2-methylprop-2-enoate
CID 174606807

Frequently Asked Questions

What is the IUPAC name of ethyl 2-formyloxyprop-2-enoate?
The IUPAC name of ethyl 2-formyloxyprop-2-enoate (CID 134335500) is ethyl 2-formyloxyprop-2-enoate.
What is the SMILES notation for ethyl 2-formyloxyprop-2-enoate?
The canonical SMILES for ethyl 2-formyloxyprop-2-enoate is C=C(OC=O)C(=O)OCC.
What is the InChIKey of ethyl 2-formyloxyprop-2-enoate?
The InChIKey is PVIDBUNKOVRPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4/c1-3-9-6(8)5(2)10-4-7/h4H,2-3H2,1H3.
What are the key properties of ethyl 2-formyloxyprop-2-enoate?
ethyl 2-formyloxyprop-2-enoate has a molecular weight of 144.13 g/mol, XLogP of 0.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-formyloxyprop-2-enoate is sourced from PubChem (CID 134335500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).