methyl 3-(1-methoxyprop-2-enoxy)-2-methylidenebutanoate

C10H16O4 — CID 11217883

IUPACmethyl 3-(1-methoxyprop-2-enoxy)-2-methylidenebutanoate
SMILESC=CC(OC)OC(C)C(=C)C(=O)OC
InChIInChI=1S/C10H16O4/c1-6-9(12-4)14-8(3)7(2)10(11)13-5/h6,8-9H,1-2H2,3-5H3
InChIKeyBYXYKUMDJOROTR-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.28
Rot. Bonds6

About methyl 3-(1-methoxyprop-2-enoxy)-2-methylidenebutanoate

methyl 3-(1-methoxyprop-2-enoxy)-2-methylidenebutanoate (PubChem CID 11217883) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is methyl 3-(1-methoxyprop-2-enoxy)-2-methylidenebutanoate.

Molecular Properties

Compound Namemethyl 3-(1-methoxyprop-2-enoxy)-2-methylidenebutanoate
PubChem CID11217883
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namemethyl 3-(1-methoxyprop-2-enoxy)-2-methylidenebutanoate
SMILESC=CC(OC)OC(C)C(=C)C(=O)OC
InChIInChI=1S/C10H16O4/c1-6-9(12-4)14-8(3)7(2)10(11)13-5/h6,8-9H,1-2H2,3-5H3
InChIKeyBYXYKUMDJOROTR-UHFFFAOYSA-N
XLogP1.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 3-(1-methoxyprop-2-enoxy)-2-methylidenebutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-methoxyprop-2-enoxy)-2-methylidenebutanoate?
The IUPAC name of methyl 3-(1-methoxyprop-2-enoxy)-2-methylidenebutanoate (CID 11217883) is methyl 3-(1-methoxyprop-2-enoxy)-2-methylidenebutanoate.
What is the SMILES notation for methyl 3-(1-methoxyprop-2-enoxy)-2-methylidenebutanoate?
The canonical SMILES for methyl 3-(1-methoxyprop-2-enoxy)-2-methylidenebutanoate is C=CC(OC)OC(C)C(=C)C(=O)OC.
What is the InChIKey of methyl 3-(1-methoxyprop-2-enoxy)-2-methylidenebutanoate?
The InChIKey is BYXYKUMDJOROTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-6-9(12-4)14-8(3)7(2)10(11)13-5/h6,8-9H,1-2H2,3-5H3.
What are the key properties of methyl 3-(1-methoxyprop-2-enoxy)-2-methylidenebutanoate?
methyl 3-(1-methoxyprop-2-enoxy)-2-methylidenebutanoate has a molecular weight of 200.23 g/mol, XLogP of 1.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-methoxyprop-2-enoxy)-2-methylidenebutanoate is sourced from PubChem (CID 11217883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).