1-methoxyethyl 2-(prop-2-enoxymethyl)prop-2-enoate

C10H16O4 — CID 134229862

IUPAC1-methoxyethyl 2-(prop-2-enoxymethyl)prop-2-enoate
SMILESC=CCOCC(=C)C(=O)OC(C)OC
InChIInChI=1S/C10H16O4/c1-5-6-13-7-8(2)10(11)14-9(3)12-4/h5,9H,1-2,6-7H2,3-4H3
InChIKeyDOZSFLZDVQSBDB-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.28
Rot. Bonds7

About 1-methoxyethyl 2-(prop-2-enoxymethyl)prop-2-enoate

1-methoxyethyl 2-(prop-2-enoxymethyl)prop-2-enoate (PubChem CID 134229862) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-methoxyethyl 2-(prop-2-enoxymethyl)prop-2-enoate.

Molecular Properties

Compound Name1-methoxyethyl 2-(prop-2-enoxymethyl)prop-2-enoate
PubChem CID134229862
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name1-methoxyethyl 2-(prop-2-enoxymethyl)prop-2-enoate
SMILESC=CCOCC(=C)C(=O)OC(C)OC
InChIInChI=1S/C10H16O4/c1-5-6-13-7-8(2)10(11)14-9(3)12-4/h5,9H,1-2,6-7H2,3-4H3
InChIKeyDOZSFLZDVQSBDB-UHFFFAOYSA-N
XLogP1.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxyethyl 2-(prop-2-enoxymethyl)prop-2-enoate?
The IUPAC name of 1-methoxyethyl 2-(prop-2-enoxymethyl)prop-2-enoate (CID 134229862) is 1-methoxyethyl 2-(prop-2-enoxymethyl)prop-2-enoate.
What is the SMILES notation for 1-methoxyethyl 2-(prop-2-enoxymethyl)prop-2-enoate?
The canonical SMILES for 1-methoxyethyl 2-(prop-2-enoxymethyl)prop-2-enoate is C=CCOCC(=C)C(=O)OC(C)OC.
What is the InChIKey of 1-methoxyethyl 2-(prop-2-enoxymethyl)prop-2-enoate?
The InChIKey is DOZSFLZDVQSBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-5-6-13-7-8(2)10(11)14-9(3)12-4/h5,9H,1-2,6-7H2,3-4H3.
What are the key properties of 1-methoxyethyl 2-(prop-2-enoxymethyl)prop-2-enoate?
1-methoxyethyl 2-(prop-2-enoxymethyl)prop-2-enoate has a molecular weight of 200.23 g/mol, XLogP of 1.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethyl 2-(prop-2-enoxymethyl)prop-2-enoate is sourced from PubChem (CID 134229862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).