ethyl 3-prop-2-enoyloxypropanoate

C8H12O4 — CID 14496496

IUPACethyl 3-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OCCC(=O)OCC
InChIInChI=1S/C8H12O4/c1-3-7(9)12-6-5-8(10)11-4-2/h3H,1,4-6H2,2H3
InChIKeyCNNNZKXVTFMUKF-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.67
Rot. Bonds5

About ethyl 3-prop-2-enoyloxypropanoate

ethyl 3-prop-2-enoyloxypropanoate (PubChem CID 14496496) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is ethyl 3-prop-2-enoyloxypropanoate.

Molecular Properties

Compound Nameethyl 3-prop-2-enoyloxypropanoate
PubChem CID14496496
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Nameethyl 3-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OCCC(=O)OCC
InChIInChI=1S/C8H12O4/c1-3-7(9)12-6-5-8(10)11-4-2/h3H,1,4-6H2,2H3
InChIKeyCNNNZKXVTFMUKF-UHFFFAOYSA-N
XLogP0.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-[6-[6-[6-[6-[6-(6-prop-2-enoyloxyhexanoyloxy)hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoate
CID 100953940
methyl 3-prop-2-enoyloxypropanoate
CID 14496497
ethenamine;ethyl prop-2-enoate
CID 22022699
ethyl prop-2-enoate;sulfane
CID 157093783
ethyl prop-2-enoate;hydrochloride
CID 87359594
ethyl prop-2-enoate;hydroiodide
CID 159738872
1-(3-prop-2-enoyloxypropanoyloxy)propyl 3-prop-2-enoyloxypropanoate
CID 141139958
3-aminopropyl 3-prop-2-enoyloxypropanoate
CID 142038573
butyl prop-2-enoate;bis(ethyl prop-2-enoate)
CID 174617066
1-O-ethyl 6-O-(3-prop-2-enoyloxypropyl) 3,3-diacetylhexanedioate
CID 89319202
ethene;ethyl prop-2-enoate;urea
CID 22098038
(3-ethoxy-3-oxopropyl) butanoate
CID 86150326

Frequently Asked Questions

What is the IUPAC name of ethyl 3-prop-2-enoyloxypropanoate?
The IUPAC name of ethyl 3-prop-2-enoyloxypropanoate (CID 14496496) is ethyl 3-prop-2-enoyloxypropanoate.
What is the SMILES notation for ethyl 3-prop-2-enoyloxypropanoate?
The canonical SMILES for ethyl 3-prop-2-enoyloxypropanoate is C=CC(=O)OCCC(=O)OCC.
What is the InChIKey of ethyl 3-prop-2-enoyloxypropanoate?
The InChIKey is CNNNZKXVTFMUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c1-3-7(9)12-6-5-8(10)11-4-2/h3H,1,4-6H2,2H3.
What are the key properties of ethyl 3-prop-2-enoyloxypropanoate?
ethyl 3-prop-2-enoyloxypropanoate has a molecular weight of 172.18 g/mol, XLogP of 0.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-prop-2-enoyloxypropanoate is sourced from PubChem (CID 14496496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).