dimethyl 2-methyl-2-(5-trimethylsilylpenta-2,3-dienyl)propanedioate

C14H24O4Si — CID 101128127

IUPACdimethyl 2-methyl-2-(5-trimethylsilylpenta-2,3-dienyl)propanedioate
SMILESCOC(=O)C(C)(CC=C=CC[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C14H24O4Si/c1-14(12(15)17-2,13(16)18-3)10-8-7-9-11-19(4,5)6/h8-9H,10-11H2,1-6H3
InChIKeyVIXDVRFGPBTOTJ-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.78
Rot. Bonds6

About dimethyl 2-methyl-2-(5-trimethylsilylpenta-2,3-dienyl)propanedioate

dimethyl 2-methyl-2-(5-trimethylsilylpenta-2,3-dienyl)propanedioate (PubChem CID 101128127) has the molecular formula C14H24O4Si and a molecular weight of 284.43 g/mol. Its IUPAC name is dimethyl 2-methyl-2-(5-trimethylsilylpenta-2,3-dienyl)propanedioate.

Molecular Properties

Compound Namedimethyl 2-methyl-2-(5-trimethylsilylpenta-2,3-dienyl)propanedioate
PubChem CID101128127
Molecular FormulaC14H24O4Si
Molecular Weight284.43 g/mol
Exact Mass284.14
IUPAC Namedimethyl 2-methyl-2-(5-trimethylsilylpenta-2,3-dienyl)propanedioate
SMILESCOC(=O)C(C)(CC=C=CC[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C14H24O4Si/c1-14(12(15)17-2,13(16)18-3)10-8-7-9-11-19(4,5)6/h8-9H,10-11H2,1-6H3
InChIKeyVIXDVRFGPBTOTJ-UHFFFAOYSA-N
XLogP2.78
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.78
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-(5-trimethylsilylpenta-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

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-methyl-2-(5-trimethylsilylpenta-2,3-dienyl)propanedioate?
The IUPAC name of dimethyl 2-methyl-2-(5-trimethylsilylpenta-2,3-dienyl)propanedioate (CID 101128127) is dimethyl 2-methyl-2-(5-trimethylsilylpenta-2,3-dienyl)propanedioate.
What is the SMILES notation for dimethyl 2-methyl-2-(5-trimethylsilylpenta-2,3-dienyl)propanedioate?
The canonical SMILES for dimethyl 2-methyl-2-(5-trimethylsilylpenta-2,3-dienyl)propanedioate is COC(=O)C(C)(CC=C=CC[Si](C)(C)C)C(=O)OC.
What is the InChIKey of dimethyl 2-methyl-2-(5-trimethylsilylpenta-2,3-dienyl)propanedioate?
The InChIKey is VIXDVRFGPBTOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4Si/c1-14(12(15)17-2,13(16)18-3)10-8-7-9-11-19(4,5)6/h8-9H,10-11H2,1-6H3.
What are the key properties of dimethyl 2-methyl-2-(5-trimethylsilylpenta-2,3-dienyl)propanedioate?
dimethyl 2-methyl-2-(5-trimethylsilylpenta-2,3-dienyl)propanedioate has a molecular weight of 284.43 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-methyl-2-(5-trimethylsilylpenta-2,3-dienyl)propanedioate is sourced from PubChem (CID 101128127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).