dimethyl 2-methyl-5-methylideneoxane-4,4-dicarboxylate

C11H16O5 — CID 44518911

IUPACdimethyl 2-methyl-5-methylideneoxane-4,4-dicarboxylate
SMILESC=C1COC(C)CC1(C(=O)OC)C(=O)OC
InChIInChI=1S/C11H16O5/c1-7-6-16-8(2)5-11(7,9(12)14-3)10(13)15-4/h8H,1,5-6H2,2-4H3
InChIKeyHWUVWIXQXXEVHF-UHFFFAOYSA-N
MW228.24 g/mol
LogP0.68
Rot. Bonds2

About dimethyl 2-methyl-5-methylideneoxane-4,4-dicarboxylate

dimethyl 2-methyl-5-methylideneoxane-4,4-dicarboxylate (PubChem CID 44518911) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is dimethyl 2-methyl-5-methylideneoxane-4,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-methyl-5-methylideneoxane-4,4-dicarboxylate
PubChem CID44518911
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Namedimethyl 2-methyl-5-methylideneoxane-4,4-dicarboxylate
SMILESC=C1COC(C)CC1(C(=O)OC)C(=O)OC
InChIInChI=1S/C11H16O5/c1-7-6-16-8(2)5-11(7,9(12)14-3)10(13)15-4/h8H,1,5-6H2,2-4H3
InChIKeyHWUVWIXQXXEVHF-UHFFFAOYSA-N
XLogP0.68
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze dimethyl 2-methyl-5-methylideneoxane-4,4-dicarboxylate with MolForge

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

Launch Full Analysis

Related Compounds

Diethyl 4-methylidene-2-propan-2-yloxolane-3,3-dicarboxylate
CID 11108412
Dimethyl 2-ethenyloxane-3,3-dicarboxylate
CID 15437503
Dimethyl 2-ethenyl-5-methylideneoxane-4,4-dicarboxylate
CID 44517914
Ethyl 5-methyl-3-(2-methylprop-2-en-1-yl)-2-oxo-oxolane-3-carboxylate
CID 129758983
Diethyl 2-methyl-4-methylideneoxolane-3,3-dicarboxylate
CID 134981048
Diethyl 2-ethenyl-6-methylideneoxane-4,4-dicarboxylate
CID 14040263
diethyl (2S)-2-methyl-4-methylideneoxolane-3,3-dicarboxylate
CID 15442038
Dimethyl 3-methylideneoxane-4,4-dicarboxylate
CID 44518910
Diethyl 5-methyl-4-methylidene-2-propan-2-yloxolane-3,3-dicarboxylate
CID 101161323
Ethyl 4-acetyl-3,5-dimethylideneoxane-4-carboxylate
CID 101472929
diethyl (2R)-2-methyl-4-methylideneoxolane-3,3-dicarboxylate
CID 101714555
diethyl (2S)-4-methylidene-2-propan-2-yloxolane-3,3-dicarboxylate
CID 101714556

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-methyl-5-methylideneoxane-4,4-dicarboxylate?
The IUPAC name of dimethyl 2-methyl-5-methylideneoxane-4,4-dicarboxylate (CID 44518911) is dimethyl 2-methyl-5-methylideneoxane-4,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-methyl-5-methylideneoxane-4,4-dicarboxylate?
The canonical SMILES for dimethyl 2-methyl-5-methylideneoxane-4,4-dicarboxylate is C=C1COC(C)CC1(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-methyl-5-methylideneoxane-4,4-dicarboxylate?
The InChIKey is HWUVWIXQXXEVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c1-7-6-16-8(2)5-11(7,9(12)14-3)10(13)15-4/h8H,1,5-6H2,2-4H3.
What are the key properties of dimethyl 2-methyl-5-methylideneoxane-4,4-dicarboxylate?
dimethyl 2-methyl-5-methylideneoxane-4,4-dicarboxylate has a molecular weight of 228.24 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-methyl-5-methylideneoxane-4,4-dicarboxylate is sourced from PubChem (CID 44518911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).