methyl 2-prop-1-en-2-yloxyacetate

C6H10O3 — CID 90436519

IUPACmethyl 2-prop-1-en-2-yloxyacetate
SMILESC=C(C)OCC(=O)OC
InChIInChI=1S/C6H10O3/c1-5(2)9-4-6(7)8-3/h1,4H2,2-3H3
InChIKeyXBTZDJUFEWZTIT-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.71
Rot. Bonds3

About methyl 2-prop-1-en-2-yloxyacetate

methyl 2-prop-1-en-2-yloxyacetate (PubChem CID 90436519) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is methyl 2-prop-1-en-2-yloxyacetate.

Molecular Properties

Compound Namemethyl 2-prop-1-en-2-yloxyacetate
PubChem CID90436519
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Namemethyl 2-prop-1-en-2-yloxyacetate
SMILESC=C(C)OCC(=O)OC
InChIInChI=1S/C6H10O3/c1-5(2)9-4-6(7)8-3/h1,4H2,2-3H3
InChIKeyXBTZDJUFEWZTIT-UHFFFAOYSA-N
XLogP0.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate
CID 22289237
(2-methoxy-2-oxoethyl) 2-methylidenebutanoate
CID 137398094
(2-methoxy-2-oxoethyl) (E)-3-aminobut-2-enoate
CID 23256018
(2-methoxy-2-oxoethyl) 2-aminoacetate
CID 87368434
1-O-methyl 3-O-(2-methylprop-2-enyl) propanedioate
CID 15370869
methyl 2-[2-(propan-2-ylideneamino)oxyacetyl]oxyacetate;vanadium
CID 158046922
(2-methoxy-2-oxoethyl) 2-methylpropanoate
CID 18740014
(2-methoxy-2-oxoethyl) 2-hydroxypropanoate
CID 19788816
acetamide;2-methoxyprop-1-ene;2-methylprop-1-ene
CID 165093716
(2-methoxy-2-oxoethyl) pyrrolidine-1-carboxylate
CID 118050079
methyl 4-methyl-3-methylidenepent-4-enoate
CID 89146578
methyl 2-(2-methyl-1-trimethylsilyloxyprop-1-enoxy)acetate
CID 23367657

Frequently Asked Questions

What is the IUPAC name of methyl 2-prop-1-en-2-yloxyacetate?
The IUPAC name of methyl 2-prop-1-en-2-yloxyacetate (CID 90436519) is methyl 2-prop-1-en-2-yloxyacetate.
What is the SMILES notation for methyl 2-prop-1-en-2-yloxyacetate?
The canonical SMILES for methyl 2-prop-1-en-2-yloxyacetate is C=C(C)OCC(=O)OC.
What is the InChIKey of methyl 2-prop-1-en-2-yloxyacetate?
The InChIKey is XBTZDJUFEWZTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-5(2)9-4-6(7)8-3/h1,4H2,2-3H3.
What are the key properties of methyl 2-prop-1-en-2-yloxyacetate?
methyl 2-prop-1-en-2-yloxyacetate has a molecular weight of 130.14 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-prop-1-en-2-yloxyacetate is sourced from PubChem (CID 90436519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).