[ethoxy(methoxy)methyl] prop-2-enoate

C7H12O4 — CID 87919387

IUPAC[ethoxy(methoxy)methyl] prop-2-enoate
SMILESC=CC(=O)OC(OC)OCC
InChIInChI=1S/C7H12O4/c1-4-6(8)11-7(9-3)10-5-2/h4,7H,1,5H2,2-3H3
InChIKeyLYGMPQSPGWCRPQ-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.68
Rot. Bonds5

About [ethoxy(methoxy)methyl] prop-2-enoate

[ethoxy(methoxy)methyl] prop-2-enoate (PubChem CID 87919387) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is [ethoxy(methoxy)methyl] prop-2-enoate.

Molecular Properties

Compound Name[ethoxy(methoxy)methyl] prop-2-enoate
PubChem CID87919387
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name[ethoxy(methoxy)methyl] prop-2-enoate
SMILESC=CC(=O)OC(OC)OCC
InChIInChI=1S/C7H12O4/c1-4-6(8)11-7(9-3)10-5-2/h4,7H,1,5H2,2-3H3
InChIKeyLYGMPQSPGWCRPQ-UHFFFAOYSA-N
XLogP0.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate
CID 174987831
1-(dimethylamino)propyl prop-2-enoate;hydrofluoride
CID 173036316
[ethoxy(methoxy)methoxy]ethane
CID 20564684
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
[(1S)-1-hydroxypropyl] prop-2-enoate
CID 88739010
[1-(dimethylamino)-2-ethoxy-2-oxoethyl] prop-2-enoate
CID 174992318
[2-(dimethylamino)-2-ethoxyethyl] prop-2-enoate
CID 58203187
CID 172734708
CID 172734708
ethoxyethane;1-hydroxypropyl prop-2-enoate
CID 174930262
1,1'-biphenyl;1-ethoxyethyl prop-2-enoate
CID 174728082
bis(methyl prop-2-enoate);propane
CID 160610529
(1-chloro-2-ethoxyethyl) prop-2-enoate
CID 174760133

Frequently Asked Questions

What is the IUPAC name of [ethoxy(methoxy)methyl] prop-2-enoate?
The IUPAC name of [ethoxy(methoxy)methyl] prop-2-enoate (CID 87919387) is [ethoxy(methoxy)methyl] prop-2-enoate.
What is the SMILES notation for [ethoxy(methoxy)methyl] prop-2-enoate?
The canonical SMILES for [ethoxy(methoxy)methyl] prop-2-enoate is C=CC(=O)OC(OC)OCC.
What is the InChIKey of [ethoxy(methoxy)methyl] prop-2-enoate?
The InChIKey is LYGMPQSPGWCRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-4-6(8)11-7(9-3)10-5-2/h4,7H,1,5H2,2-3H3.
What are the key properties of [ethoxy(methoxy)methyl] prop-2-enoate?
[ethoxy(methoxy)methyl] prop-2-enoate has a molecular weight of 160.17 g/mol, XLogP of 0.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(methoxy)methyl] prop-2-enoate is sourced from PubChem (CID 87919387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).