dimethyl (3E)-2-(dimethoxymethylidene)-3-ethylidenebutanedioate

C11H16O6 — CID 10890133

IUPACdimethyl (3E)-2-(dimethoxymethylidene)-3-ethylidenebutanedioate
SMILESC/C=C(/C(=O)OC)C(C(=O)OC)=C(OC)OC
InChIInChI=1S/C11H16O6/c1-6-7(9(12)14-2)8(10(13)15-3)11(16-4)17-5/h6H,1-5H3/b7-6+
InChIKeyXDHMHSAVBRSFLF-VOTSOKGWSA-N
MW244.24 g/mol
LogP0.78
Rot. Bonds5

About dimethyl (3E)-2-(dimethoxymethylidene)-3-ethylidenebutanedioate

dimethyl (3E)-2-(dimethoxymethylidene)-3-ethylidenebutanedioate (PubChem CID 10890133) has the molecular formula C11H16O6 and a molecular weight of 244.24 g/mol. Its IUPAC name is dimethyl (3E)-2-(dimethoxymethylidene)-3-ethylidenebutanedioate.

Molecular Properties

Compound Namedimethyl (3E)-2-(dimethoxymethylidene)-3-ethylidenebutanedioate
PubChem CID10890133
Molecular FormulaC11H16O6
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Namedimethyl (3E)-2-(dimethoxymethylidene)-3-ethylidenebutanedioate
SMILESC/C=C(/C(=O)OC)C(C(=O)OC)=C(OC)OC
InChIInChI=1S/C11H16O6/c1-6-7(9(12)14-2)8(10(13)15-3)11(16-4)17-5/h6H,1-5H3/b7-6+
InChIKeyXDHMHSAVBRSFLF-VOTSOKGWSA-N
XLogP0.78
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Related Compounds

methyl (2Z)-2-ethylidene-4,4-dimethyl-3-oxopentanoate
CID 90225162
dimethyl oxalate
CID 11120
methyl (E)-2-(C-methyl-N-propan-2-ylcarbonimidoyl)but-2-enoate
CID 123923233
methyl (Z)-2-acetyl-4-methylpent-2-enoate
CID 23247156
dimethyl 2-(formyloxymethylidene)propanedioate
CID 54473959
tetramethyl (4Z)-2,7-dimethylocta-2,4,6-triene-2,3,4,5-tetracarboxylate
CID 100993196
dimethyl 2-(difluoromethylidene)propanedioate
CID 23264341
dimethyl oxalate;hydrochloride
CID 172754902
dimethyl 2-but-2-ynylidenepropanedioate
CID 162368563
methyl (Z)-2-iodobut-2-enoate
CID 11506856
trimethyl 2-chloroethene-1,1,2-tricarboxylate
CID 10799846
methyl (E)-2-aminobut-2-enoate
CID 19894054

Frequently Asked Questions

What is the IUPAC name of dimethyl (3E)-2-(dimethoxymethylidene)-3-ethylidenebutanedioate?
The IUPAC name of dimethyl (3E)-2-(dimethoxymethylidene)-3-ethylidenebutanedioate (CID 10890133) is dimethyl (3E)-2-(dimethoxymethylidene)-3-ethylidenebutanedioate.
What is the SMILES notation for dimethyl (3E)-2-(dimethoxymethylidene)-3-ethylidenebutanedioate?
The canonical SMILES for dimethyl (3E)-2-(dimethoxymethylidene)-3-ethylidenebutanedioate is C/C=C(/C(=O)OC)C(C(=O)OC)=C(OC)OC.
What is the InChIKey of dimethyl (3E)-2-(dimethoxymethylidene)-3-ethylidenebutanedioate?
The InChIKey is XDHMHSAVBRSFLF-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H16O6/c1-6-7(9(12)14-2)8(10(13)15-3)11(16-4)17-5/h6H,1-5H3/b7-6+.
What are the key properties of dimethyl (3E)-2-(dimethoxymethylidene)-3-ethylidenebutanedioate?
dimethyl (3E)-2-(dimethoxymethylidene)-3-ethylidenebutanedioate has a molecular weight of 244.24 g/mol, XLogP of 0.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3E)-2-(dimethoxymethylidene)-3-ethylidenebutanedioate is sourced from PubChem (CID 10890133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).