methyl 3-methoxy-2-methylprop-2-enoate

C6H10O3 — CID 3019052

IUPACmethyl 3-methoxy-2-methylprop-2-enoate
SMILESCOC=C(C)C(=O)OC
InChIInChI=1S/C6H10O3/c1-5(4-8-2)6(7)9-3/h4H,1-3H3
InChIKeyXEQYPQHAQCSASZ-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.71
Rot. Bonds2

About methyl 3-methoxy-2-methylprop-2-enoate

methyl 3-methoxy-2-methylprop-2-enoate (PubChem CID 3019052) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is methyl 3-methoxy-2-methylprop-2-enoate.

Molecular Properties

Compound Namemethyl 3-methoxy-2-methylprop-2-enoate
PubChem CID3019052
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Namemethyl 3-methoxy-2-methylprop-2-enoate
SMILESCOC=C(C)C(=O)OC
InChIInChI=1S/C6H10O3/c1-5(4-8-2)6(7)9-3/h4H,1-3H3
InChIKeyXEQYPQHAQCSASZ-UHFFFAOYSA-N
XLogP0.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-2-methylprop-2-enoate?
The IUPAC name of methyl 3-methoxy-2-methylprop-2-enoate (CID 3019052) is methyl 3-methoxy-2-methylprop-2-enoate.
What is the SMILES notation for methyl 3-methoxy-2-methylprop-2-enoate?
The canonical SMILES for methyl 3-methoxy-2-methylprop-2-enoate is COC=C(C)C(=O)OC.
What is the InChIKey of methyl 3-methoxy-2-methylprop-2-enoate?
The InChIKey is XEQYPQHAQCSASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-5(4-8-2)6(7)9-3/h4H,1-3H3.
What are the key properties of methyl 3-methoxy-2-methylprop-2-enoate?
methyl 3-methoxy-2-methylprop-2-enoate has a molecular weight of 130.14 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-2-methylprop-2-enoate is sourced from PubChem (CID 3019052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).