bis(but-2-ynyl) 2,3-bis(trimethylsilyloxy)butanedioate

C18H30O6Si2 — CID 88550917

IUPACbis(but-2-ynyl) 2,3-bis(trimethylsilyloxy)butanedioate
SMILESCC#CCOC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)OCC#CC
InChIInChI=1S/C18H30O6Si2/c1-9-11-13-21-17(19)15(23-25(3,4)5)16(24-26(6,7)8)18(20)22-14-12-10-2/h15-16H,13-14H2,1-8H3
InChIKeyOCELOAMGVJWNOR-UHFFFAOYSA-N
MW398.60 g/mol
LogP2.56
Rot. Bonds9

About bis(but-2-ynyl) 2,3-bis(trimethylsilyloxy)butanedioate

bis(but-2-ynyl) 2,3-bis(trimethylsilyloxy)butanedioate (PubChem CID 88550917) has the molecular formula C18H30O6Si2 and a molecular weight of 398.60 g/mol. Its IUPAC name is bis(but-2-ynyl) 2,3-bis(trimethylsilyloxy)butanedioate.

Molecular Properties

Compound Namebis(but-2-ynyl) 2,3-bis(trimethylsilyloxy)butanedioate
PubChem CID88550917
Molecular FormulaC18H30O6Si2
Molecular Weight398.60 g/mol
Exact Mass398.16
IUPAC Namebis(but-2-ynyl) 2,3-bis(trimethylsilyloxy)butanedioate
SMILESCC#CCOC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)OCC#CC
InChIInChI=1S/C18H30O6Si2/c1-9-11-13-21-17(19)15(23-25(3,4)5)16(24-26(6,7)8)18(20)22-14-12-10-2/h15-16H,13-14H2,1-8H3
InChIKeyOCELOAMGVJWNOR-UHFFFAOYSA-N
XLogP2.56
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.60
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis(but-2-ynyl) 2,3-bis(trimethylsilyloxy)butanedioate 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 bis(but-2-ynyl) 2,3-bis(trimethylsilyloxy)butanedioate?
The IUPAC name of bis(but-2-ynyl) 2,3-bis(trimethylsilyloxy)butanedioate (CID 88550917) is bis(but-2-ynyl) 2,3-bis(trimethylsilyloxy)butanedioate.
What is the SMILES notation for bis(but-2-ynyl) 2,3-bis(trimethylsilyloxy)butanedioate?
The canonical SMILES for bis(but-2-ynyl) 2,3-bis(trimethylsilyloxy)butanedioate is CC#CCOC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)OCC#CC.
What is the InChIKey of bis(but-2-ynyl) 2,3-bis(trimethylsilyloxy)butanedioate?
The InChIKey is OCELOAMGVJWNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O6Si2/c1-9-11-13-21-17(19)15(23-25(3,4)5)16(24-26(6,7)8)18(20)22-14-12-10-2/h15-16H,13-14H2,1-8H3.
What are the key properties of bis(but-2-ynyl) 2,3-bis(trimethylsilyloxy)butanedioate?
bis(but-2-ynyl) 2,3-bis(trimethylsilyloxy)butanedioate has a molecular weight of 398.60 g/mol, XLogP of 2.56, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(but-2-ynyl) 2,3-bis(trimethylsilyloxy)butanedioate is sourced from PubChem (CID 88550917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).