prop-2-enoxymethyl acetate

C6H10O3 — CID 14955603

IUPACprop-2-enoxymethyl acetate
SMILESC=CCOCOC(C)=O
InChIInChI=1S/C6H10O3/c1-3-4-8-5-9-6(2)7/h3H,1,4-5H2,2H3
InChIKeyNBGUSBVPRPLUON-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.71
Rot. Bonds4

About prop-2-enoxymethyl acetate

prop-2-enoxymethyl acetate (PubChem CID 14955603) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is prop-2-enoxymethyl acetate.

Molecular Properties

Compound Nameprop-2-enoxymethyl acetate
PubChem CID14955603
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Nameprop-2-enoxymethyl acetate
SMILESC=CCOCOC(C)=O
InChIInChI=1S/C6H10O3/c1-3-4-8-5-9-6(2)7/h3H,1,4-5H2,2H3
InChIKeyNBGUSBVPRPLUON-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enoxymethyl acetate?
The IUPAC name of prop-2-enoxymethyl acetate (CID 14955603) is prop-2-enoxymethyl acetate.
What is the SMILES notation for prop-2-enoxymethyl acetate?
The canonical SMILES for prop-2-enoxymethyl acetate is C=CCOCOC(C)=O.
What is the InChIKey of prop-2-enoxymethyl acetate?
The InChIKey is NBGUSBVPRPLUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-3-4-8-5-9-6(2)7/h3H,1,4-5H2,2H3.
What are the key properties of prop-2-enoxymethyl acetate?
prop-2-enoxymethyl acetate has a molecular weight of 130.14 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoxymethyl acetate is sourced from PubChem (CID 14955603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).