methyl 3-methoxy-2-methylidenebut-3-enoate

C7H10O3 — CID 123350799

IUPACmethyl 3-methoxy-2-methylidenebut-3-enoate
SMILESC=C(OC)C(=C)C(=O)OC
InChIInChI=1S/C7H10O3/c1-5(6(2)9-3)7(8)10-4/h1-2H2,3-4H3
InChIKeyWTAJHROCTSUUMD-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.88
Rot. Bonds3

About methyl 3-methoxy-2-methylidenebut-3-enoate

methyl 3-methoxy-2-methylidenebut-3-enoate (PubChem CID 123350799) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is methyl 3-methoxy-2-methylidenebut-3-enoate.

Molecular Properties

Compound Namemethyl 3-methoxy-2-methylidenebut-3-enoate
PubChem CID123350799
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Namemethyl 3-methoxy-2-methylidenebut-3-enoate
SMILESC=C(OC)C(=C)C(=O)OC
InChIInChI=1S/C7H10O3/c1-5(6(2)9-3)7(8)10-4/h1-2H2,3-4H3
InChIKeyWTAJHROCTSUUMD-UHFFFAOYSA-N
XLogP0.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.88
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-2-methylidenebut-3-enoate?
The IUPAC name of methyl 3-methoxy-2-methylidenebut-3-enoate (CID 123350799) is methyl 3-methoxy-2-methylidenebut-3-enoate.
What is the SMILES notation for methyl 3-methoxy-2-methylidenebut-3-enoate?
The canonical SMILES for methyl 3-methoxy-2-methylidenebut-3-enoate is C=C(OC)C(=C)C(=O)OC.
What is the InChIKey of methyl 3-methoxy-2-methylidenebut-3-enoate?
The InChIKey is WTAJHROCTSUUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-5(6(2)9-3)7(8)10-4/h1-2H2,3-4H3.
What are the key properties of methyl 3-methoxy-2-methylidenebut-3-enoate?
methyl 3-methoxy-2-methylidenebut-3-enoate has a molecular weight of 142.15 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-2-methylidenebut-3-enoate is sourced from PubChem (CID 123350799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).