prop-2-enyl 2-methoxyacetate

C6H10O3 — CID 542179

IUPACprop-2-enyl 2-methoxyacetate
SMILESC=CCOC(=O)COC
InChIInChI=1S/C6H10O3/c1-3-4-9-6(7)5-8-2/h3H,1,4-5H2,2H3
InChIKeyQCXOXQDMZZKKIS-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.36
Rot. Bonds4

About prop-2-enyl 2-methoxyacetate

prop-2-enyl 2-methoxyacetate (PubChem CID 542179) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is prop-2-enyl 2-methoxyacetate.

Molecular Properties

Compound Nameprop-2-enyl 2-methoxyacetate
PubChem CID542179
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Nameprop-2-enyl 2-methoxyacetate
SMILESC=CCOC(=O)COC
InChIInChI=1S/C6H10O3/c1-3-4-9-6(7)5-8-2/h3H,1,4-5H2,2H3
InChIKeyQCXOXQDMZZKKIS-UHFFFAOYSA-N
XLogP0.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-methoxyacetate?
The IUPAC name of prop-2-enyl 2-methoxyacetate (CID 542179) is prop-2-enyl 2-methoxyacetate.
What is the SMILES notation for prop-2-enyl 2-methoxyacetate?
The canonical SMILES for prop-2-enyl 2-methoxyacetate is C=CCOC(=O)COC.
What is the InChIKey of prop-2-enyl 2-methoxyacetate?
The InChIKey is QCXOXQDMZZKKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-3-4-9-6(7)5-8-2/h3H,1,4-5H2,2H3.
What are the key properties of prop-2-enyl 2-methoxyacetate?
prop-2-enyl 2-methoxyacetate has a molecular weight of 130.14 g/mol, XLogP of 0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-methoxyacetate is sourced from PubChem (CID 542179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).