ethyl 2-(oxiran-2-ylmethoxy)prop-2-enoate

C8H12O4 — CID 141256557

IUPACethyl 2-(oxiran-2-ylmethoxy)prop-2-enoate
SMILESC=C(OCC1CO1)C(=O)OCC
InChIInChI=1S/C8H12O4/c1-3-10-8(9)6(2)11-4-7-5-12-7/h7H,2-5H2,1H3
InChIKeyGQIFRLDUXMSZQB-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.48
Rot. Bonds5

About ethyl 2-(oxiran-2-ylmethoxy)prop-2-enoate

ethyl 2-(oxiran-2-ylmethoxy)prop-2-enoate (PubChem CID 141256557) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is ethyl 2-(oxiran-2-ylmethoxy)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-(oxiran-2-ylmethoxy)prop-2-enoate
PubChem CID141256557
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Nameethyl 2-(oxiran-2-ylmethoxy)prop-2-enoate
SMILESC=C(OCC1CO1)C(=O)OCC
InChIInChI=1S/C8H12O4/c1-3-10-8(9)6(2)11-4-7-5-12-7/h7H,2-5H2,1H3
InChIKeyGQIFRLDUXMSZQB-UHFFFAOYSA-N
XLogP0.48
TPSA48.06 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 ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl acetate;methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 174820350
[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87151920
formaldehyde;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159353031
1-O-ethyl 4-O-(oxiran-2-ylmethyl) (Z)-but-2-enedioate
CID 6433943
oxiran-2-ylmethyl 2-methylprop-2-enoate;oxosilane
CID 174970981
oxiran-2-ylmethyl 2-methylidene-4-oxopentanoate
CID 135332305
bis(oxiran-2-ylmethyl) carbonate
CID 13170402
1-ethoxy-N-(oxiran-2-ylmethoxy)ethenamine
CID 57112600
oxiran-2-ylmethyl 2-methylidenetetradecanoate
CID 22459422
oxiran-2-ylmethyl 3-ethoxy-2-methylprop-2-enoate
CID 175102529
4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87727049

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(oxiran-2-ylmethoxy)prop-2-enoate?
The IUPAC name of ethyl 2-(oxiran-2-ylmethoxy)prop-2-enoate (CID 141256557) is ethyl 2-(oxiran-2-ylmethoxy)prop-2-enoate.
What is the SMILES notation for ethyl 2-(oxiran-2-ylmethoxy)prop-2-enoate?
The canonical SMILES for ethyl 2-(oxiran-2-ylmethoxy)prop-2-enoate is C=C(OCC1CO1)C(=O)OCC.
What is the InChIKey of ethyl 2-(oxiran-2-ylmethoxy)prop-2-enoate?
The InChIKey is GQIFRLDUXMSZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c1-3-10-8(9)6(2)11-4-7-5-12-7/h7H,2-5H2,1H3.
What are the key properties of ethyl 2-(oxiran-2-ylmethoxy)prop-2-enoate?
ethyl 2-(oxiran-2-ylmethoxy)prop-2-enoate has a molecular weight of 172.18 g/mol, XLogP of 0.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(oxiran-2-ylmethoxy)prop-2-enoate is sourced from PubChem (CID 141256557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).