bis(prop-2-enyl) 2,3-bis(trimethylsilyloxy)butanedioate

C16H30O6Si2 — CID 88551151

IUPACbis(prop-2-enyl) 2,3-bis(trimethylsilyloxy)butanedioate
SMILESC=CCOC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)OCC=C
InChIInChI=1S/C16H30O6Si2/c1-9-11-19-15(17)13(21-23(3,4)5)14(22-24(6,7)8)16(18)20-12-10-2/h9-10,13-14H,1-2,11-12H2,3-8H3
InChIKeySGDBBWCECDJGJI-UHFFFAOYSA-N
MW374.58 g/mol
LogP2.88
Rot. Bonds11

About bis(prop-2-enyl) 2,3-bis(trimethylsilyloxy)butanedioate

bis(prop-2-enyl) 2,3-bis(trimethylsilyloxy)butanedioate (PubChem CID 88551151) has the molecular formula C16H30O6Si2 and a molecular weight of 374.58 g/mol. Its IUPAC name is bis(prop-2-enyl) 2,3-bis(trimethylsilyloxy)butanedioate.

Molecular Properties

Compound Namebis(prop-2-enyl) 2,3-bis(trimethylsilyloxy)butanedioate
PubChem CID88551151
Molecular FormulaC16H30O6Si2
Molecular Weight374.58 g/mol
Exact Mass374.16
IUPAC Namebis(prop-2-enyl) 2,3-bis(trimethylsilyloxy)butanedioate
SMILESC=CCOC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)OCC=C
InChIInChI=1S/C16H30O6Si2/c1-9-11-19-15(17)13(21-23(3,4)5)14(22-24(6,7)8)16(18)20-12-10-2/h9-10,13-14H,1-2,11-12H2,3-8H3
InChIKeySGDBBWCECDJGJI-UHFFFAOYSA-N
XLogP2.88
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.58
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl) 2,3-bis(trimethylsilyloxy)butanedioate?
The IUPAC name of bis(prop-2-enyl) 2,3-bis(trimethylsilyloxy)butanedioate (CID 88551151) is bis(prop-2-enyl) 2,3-bis(trimethylsilyloxy)butanedioate.
What is the SMILES notation for bis(prop-2-enyl) 2,3-bis(trimethylsilyloxy)butanedioate?
The canonical SMILES for bis(prop-2-enyl) 2,3-bis(trimethylsilyloxy)butanedioate is C=CCOC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)OCC=C.
What is the InChIKey of bis(prop-2-enyl) 2,3-bis(trimethylsilyloxy)butanedioate?
The InChIKey is SGDBBWCECDJGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O6Si2/c1-9-11-19-15(17)13(21-23(3,4)5)14(22-24(6,7)8)16(18)20-12-10-2/h9-10,13-14H,1-2,11-12H2,3-8H3.
What are the key properties of bis(prop-2-enyl) 2,3-bis(trimethylsilyloxy)butanedioate?
bis(prop-2-enyl) 2,3-bis(trimethylsilyloxy)butanedioate has a molecular weight of 374.58 g/mol, XLogP of 2.88, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) 2,3-bis(trimethylsilyloxy)butanedioate is sourced from PubChem (CID 88551151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).