dimethyl 2-prop-2-enyl-2,4-bis(trimethylsilyl)pentanedioate

C16H32O4Si2 — CID 14531357

IUPACdimethyl 2-prop-2-enyl-2,4-bis(trimethylsilyl)pentanedioate
SMILESC=CCC(CC(C(=O)OC)[Si](C)(C)C)(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C16H32O4Si2/c1-10-11-16(15(18)20-3,22(7,8)9)12-13(14(17)19-2)21(4,5)6/h10,13H,1,11-12H2,2-9H3
InChIKeyFJUFNZVALUFQCP-UHFFFAOYSA-N
MW344.60 g/mol
LogP4.09
Rot. Bonds8

About dimethyl 2-prop-2-enyl-2,4-bis(trimethylsilyl)pentanedioate

dimethyl 2-prop-2-enyl-2,4-bis(trimethylsilyl)pentanedioate (PubChem CID 14531357) has the molecular formula C16H32O4Si2 and a molecular weight of 344.60 g/mol. Its IUPAC name is dimethyl 2-prop-2-enyl-2,4-bis(trimethylsilyl)pentanedioate.

Molecular Properties

Compound Namedimethyl 2-prop-2-enyl-2,4-bis(trimethylsilyl)pentanedioate
PubChem CID14531357
Molecular FormulaC16H32O4Si2
Molecular Weight344.60 g/mol
Exact Mass344.18
IUPAC Namedimethyl 2-prop-2-enyl-2,4-bis(trimethylsilyl)pentanedioate
SMILESC=CCC(CC(C(=O)OC)[Si](C)(C)C)(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C16H32O4Si2/c1-10-11-16(15(18)20-3,22(7,8)9)12-13(14(17)19-2)21(4,5)6/h10,13H,1,11-12H2,2-9H3
InChIKeyFJUFNZVALUFQCP-UHFFFAOYSA-N
XLogP4.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.60
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze dimethyl 2-prop-2-enyl-2,4-bis(trimethylsilyl)pentanedioate 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-prop-2-enyl-2,4-bis(trimethylsilyl)pentanedioate?
The IUPAC name of dimethyl 2-prop-2-enyl-2,4-bis(trimethylsilyl)pentanedioate (CID 14531357) is dimethyl 2-prop-2-enyl-2,4-bis(trimethylsilyl)pentanedioate.
What is the SMILES notation for dimethyl 2-prop-2-enyl-2,4-bis(trimethylsilyl)pentanedioate?
The canonical SMILES for dimethyl 2-prop-2-enyl-2,4-bis(trimethylsilyl)pentanedioate is C=CCC(CC(C(=O)OC)[Si](C)(C)C)(C(=O)OC)[Si](C)(C)C.
What is the InChIKey of dimethyl 2-prop-2-enyl-2,4-bis(trimethylsilyl)pentanedioate?
The InChIKey is FJUFNZVALUFQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4Si2/c1-10-11-16(15(18)20-3,22(7,8)9)12-13(14(17)19-2)21(4,5)6/h10,13H,1,11-12H2,2-9H3.
What are the key properties of dimethyl 2-prop-2-enyl-2,4-bis(trimethylsilyl)pentanedioate?
dimethyl 2-prop-2-enyl-2,4-bis(trimethylsilyl)pentanedioate has a molecular weight of 344.60 g/mol, XLogP of 4.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-prop-2-enyl-2,4-bis(trimethylsilyl)pentanedioate is sourced from PubChem (CID 14531357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).