dimethyl 3-methylideneoxane-4,4-dicarboxylate

C10H14O5 — CID 44518910

IUPACdimethyl 3-methylideneoxane-4,4-dicarboxylate
SMILESC=C1COCCC1(C(=O)OC)C(=O)OC
InChIInChI=1S/C10H14O5/c1-7-6-15-5-4-10(7,8(11)13-2)9(12)14-3/h1,4-6H2,2-3H3
InChIKeyVNNGJBHWZCPXJV-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.30
Rot. Bonds2

About dimethyl 3-methylideneoxane-4,4-dicarboxylate

dimethyl 3-methylideneoxane-4,4-dicarboxylate (PubChem CID 44518910) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is dimethyl 3-methylideneoxane-4,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-methylideneoxane-4,4-dicarboxylate
PubChem CID44518910
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Namedimethyl 3-methylideneoxane-4,4-dicarboxylate
SMILESC=C1COCCC1(C(=O)OC)C(=O)OC
InChIInChI=1S/C10H14O5/c1-7-6-15-5-4-10(7,8(11)13-2)9(12)14-3/h1,4-6H2,2-3H3
InChIKeyVNNGJBHWZCPXJV-UHFFFAOYSA-N
XLogP0.30
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.30
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'}

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Related Compounds

Dimethyl 2-ethenyl-5-methylideneoxane-4,4-dicarboxylate
CID 44517914
Diethyl 2-methyl-4-methylideneoxolane-3,3-dicarboxylate
CID 134981048
Ethyl 3-methyl-4-methylidene-2-oxooxolane-3-carboxylate
CID 12233713
3-(Methoxymethyl)-4-methylidene-3-prop-2-enyloxolan-2-one
CID 13428036
diethyl (2S)-2-methyl-4-methylideneoxolane-3,3-dicarboxylate
CID 15442038
Dimethyl 2-methyl-5-methylideneoxane-4,4-dicarboxylate
CID 44518911
Ethyl 4-acetyl-3,5-dimethylideneoxane-4-carboxylate
CID 101472929
diethyl (2R)-2-methyl-4-methylideneoxolane-3,3-dicarboxylate
CID 101714555

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-methylideneoxane-4,4-dicarboxylate?
The IUPAC name of dimethyl 3-methylideneoxane-4,4-dicarboxylate (CID 44518910) is dimethyl 3-methylideneoxane-4,4-dicarboxylate.
What is the SMILES notation for dimethyl 3-methylideneoxane-4,4-dicarboxylate?
The canonical SMILES for dimethyl 3-methylideneoxane-4,4-dicarboxylate is C=C1COCCC1(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 3-methylideneoxane-4,4-dicarboxylate?
The InChIKey is VNNGJBHWZCPXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-7-6-15-5-4-10(7,8(11)13-2)9(12)14-3/h1,4-6H2,2-3H3.
What are the key properties of dimethyl 3-methylideneoxane-4,4-dicarboxylate?
dimethyl 3-methylideneoxane-4,4-dicarboxylate has a molecular weight of 214.22 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-methylideneoxane-4,4-dicarboxylate is sourced from PubChem (CID 44518910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).