dimethyl 2-methyl-2-(2-methyl-4-trimethylsilylbuta-2,3-dienyl)propanedioate

C14H24O4Si — CID 102262887

IUPACdimethyl 2-methyl-2-(2-methyl-4-trimethylsilylbuta-2,3-dienyl)propanedioate
SMILESCOC(=O)C(C)(CC(C)=C=C[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C14H24O4Si/c1-11(8-9-19(5,6)7)10-14(2,12(15)17-3)13(16)18-4/h9H,10H2,1-7H3
InChIKeyVDCSYQNYRODDFV-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.71
Rot. Bonds5

About dimethyl 2-methyl-2-(2-methyl-4-trimethylsilylbuta-2,3-dienyl)propanedioate

dimethyl 2-methyl-2-(2-methyl-4-trimethylsilylbuta-2,3-dienyl)propanedioate (PubChem CID 102262887) has the molecular formula C14H24O4Si and a molecular weight of 284.43 g/mol. Its IUPAC name is dimethyl 2-methyl-2-(2-methyl-4-trimethylsilylbuta-2,3-dienyl)propanedioate.

Molecular Properties

Compound Namedimethyl 2-methyl-2-(2-methyl-4-trimethylsilylbuta-2,3-dienyl)propanedioate
PubChem CID102262887
Molecular FormulaC14H24O4Si
Molecular Weight284.43 g/mol
Exact Mass284.14
IUPAC Namedimethyl 2-methyl-2-(2-methyl-4-trimethylsilylbuta-2,3-dienyl)propanedioate
SMILESCOC(=O)C(C)(CC(C)=C=C[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C14H24O4Si/c1-11(8-9-19(5,6)7)10-14(2,12(15)17-3)13(16)18-4/h9H,10H2,1-7H3
InChIKeyVDCSYQNYRODDFV-UHFFFAOYSA-N
XLogP2.71
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze dimethyl 2-methyl-2-(2-methyl-4-trimethylsilylbuta-2,3-dienyl)propanedioate 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

dimethyl 2-prop-2-enyl-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate
CID 101121422
Dimethyl 2-methyl-2-(5-trimethylsilylpenta-2,3-dienyl)propanedioate
CID 101128127
dimethyl 2-(4-methylpenta-2,3-dienyl)-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate
CID 101256703
dimethyl (2E)-2-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 102051620
Dimethyl 2-(2-ethyl-4-trimethylsilylbuta-2,3-dienyl)-2-methylpropanedioate
CID 102262881
dimethyl (4E)-3-methylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 102377343
Dimethyl 2-methyl-2-(4-trimethylsilylbuta-2,3-dienyl)propanedioate
CID 164685272
Dimethyl 2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate
CID 12540003
Trimethyl 3-trimethylsilylbut-3-ene-1,1,1-tricarboxylate
CID 10851905
Diethyl 2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate
CID 10989801
Dimethyl 2-(2,4-dimethylpenta-2,3-dienyl)-2-methylpropanedioate
CID 11413775
dimethyl (3E)-3-[[ethyl(dimethyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate
CID 12972648

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-methyl-2-(2-methyl-4-trimethylsilylbuta-2,3-dienyl)propanedioate?
The IUPAC name of dimethyl 2-methyl-2-(2-methyl-4-trimethylsilylbuta-2,3-dienyl)propanedioate (CID 102262887) is dimethyl 2-methyl-2-(2-methyl-4-trimethylsilylbuta-2,3-dienyl)propanedioate.
What is the SMILES notation for dimethyl 2-methyl-2-(2-methyl-4-trimethylsilylbuta-2,3-dienyl)propanedioate?
The canonical SMILES for dimethyl 2-methyl-2-(2-methyl-4-trimethylsilylbuta-2,3-dienyl)propanedioate is COC(=O)C(C)(CC(C)=C=C[Si](C)(C)C)C(=O)OC.
What is the InChIKey of dimethyl 2-methyl-2-(2-methyl-4-trimethylsilylbuta-2,3-dienyl)propanedioate?
The InChIKey is VDCSYQNYRODDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4Si/c1-11(8-9-19(5,6)7)10-14(2,12(15)17-3)13(16)18-4/h9H,10H2,1-7H3.
What are the key properties of dimethyl 2-methyl-2-(2-methyl-4-trimethylsilylbuta-2,3-dienyl)propanedioate?
dimethyl 2-methyl-2-(2-methyl-4-trimethylsilylbuta-2,3-dienyl)propanedioate has a molecular weight of 284.43 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-methyl-2-(2-methyl-4-trimethylsilylbuta-2,3-dienyl)propanedioate is sourced from PubChem (CID 102262887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).