dimethyl 2-(5-trimethylsilylpent-4-ynyl)-2-(3-trimethylsilylprop-2-ynyl)propanedioate

C19H32O4Si2 — CID 10948919

IUPACdimethyl 2-(5-trimethylsilylpent-4-ynyl)-2-(3-trimethylsilylprop-2-ynyl)propanedioate
SMILESCOC(=O)C(CC#C[Si](C)(C)C)(CCCC#C[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C19H32O4Si2/c1-22-17(20)19(18(21)23-2,14-12-16-25(6,7)8)13-10-9-11-15-24(3,4)5/h9-10,13-14H2,1-8H3
InChIKeyYBUMZTNFULUKIM-UHFFFAOYSA-N
MW380.63 g/mol
LogP3.64
Rot. Bonds6

About dimethyl 2-(5-trimethylsilylpent-4-ynyl)-2-(3-trimethylsilylprop-2-ynyl)propanedioate

dimethyl 2-(5-trimethylsilylpent-4-ynyl)-2-(3-trimethylsilylprop-2-ynyl)propanedioate (PubChem CID 10948919) has the molecular formula C19H32O4Si2 and a molecular weight of 380.63 g/mol. Its IUPAC name is dimethyl 2-(5-trimethylsilylpent-4-ynyl)-2-(3-trimethylsilylprop-2-ynyl)propanedioate.

Molecular Properties

Compound Namedimethyl 2-(5-trimethylsilylpent-4-ynyl)-2-(3-trimethylsilylprop-2-ynyl)propanedioate
PubChem CID10948919
Molecular FormulaC19H32O4Si2
Molecular Weight380.63 g/mol
Exact Mass380.18
IUPAC Namedimethyl 2-(5-trimethylsilylpent-4-ynyl)-2-(3-trimethylsilylprop-2-ynyl)propanedioate
SMILESCOC(=O)C(CC#C[Si](C)(C)C)(CCCC#C[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C19H32O4Si2/c1-22-17(20)19(18(21)23-2,14-12-16-25(6,7)8)13-10-9-11-15-24(3,4)5/h9-10,13-14H2,1-8H3
InChIKeyYBUMZTNFULUKIM-UHFFFAOYSA-N
XLogP3.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.63
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(5-trimethylsilylpent-4-ynyl)-2-(3-trimethylsilylprop-2-ynyl)propanedioate?
The IUPAC name of dimethyl 2-(5-trimethylsilylpent-4-ynyl)-2-(3-trimethylsilylprop-2-ynyl)propanedioate (CID 10948919) is dimethyl 2-(5-trimethylsilylpent-4-ynyl)-2-(3-trimethylsilylprop-2-ynyl)propanedioate.
What is the SMILES notation for dimethyl 2-(5-trimethylsilylpent-4-ynyl)-2-(3-trimethylsilylprop-2-ynyl)propanedioate?
The canonical SMILES for dimethyl 2-(5-trimethylsilylpent-4-ynyl)-2-(3-trimethylsilylprop-2-ynyl)propanedioate is COC(=O)C(CC#C[Si](C)(C)C)(CCCC#C[Si](C)(C)C)C(=O)OC.
What is the InChIKey of dimethyl 2-(5-trimethylsilylpent-4-ynyl)-2-(3-trimethylsilylprop-2-ynyl)propanedioate?
The InChIKey is YBUMZTNFULUKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O4Si2/c1-22-17(20)19(18(21)23-2,14-12-16-25(6,7)8)13-10-9-11-15-24(3,4)5/h9-10,13-14H2,1-8H3.
What are the key properties of dimethyl 2-(5-trimethylsilylpent-4-ynyl)-2-(3-trimethylsilylprop-2-ynyl)propanedioate?
dimethyl 2-(5-trimethylsilylpent-4-ynyl)-2-(3-trimethylsilylprop-2-ynyl)propanedioate has a molecular weight of 380.63 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(5-trimethylsilylpent-4-ynyl)-2-(3-trimethylsilylprop-2-ynyl)propanedioate is sourced from PubChem (CID 10948919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).