[(E)-1-deuterio-2-methyl-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane

C11H22Si2 — CID 13484498

IUPAC[(E)-1-deuterio-2-methyl-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane
SMILES[2H]/C(=C(/C)C#C[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C11H22Si2/c1-11(10-13(5,6)7)8-9-12(2,3)4/h10H,1-7H3/b11-10+/i10D
InChIKeyAOCQPHOVYFFGHJ-DUIFKMSBSA-N
MW211.48 g/mol
LogP3.69
Rot. Bonds1

About [(E)-1-deuterio-2-methyl-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane

[(E)-1-deuterio-2-methyl-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane (PubChem CID 13484498) has the molecular formula C11H22Si2 and a molecular weight of 211.48 g/mol. Its IUPAC name is [(E)-1-deuterio-2-methyl-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-1-deuterio-2-methyl-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane
PubChem CID13484498
Molecular FormulaC11H22Si2
Molecular Weight211.48 g/mol
Exact Mass211.13
IUPAC Name[(E)-1-deuterio-2-methyl-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane
SMILES[2H]/C(=C(/C)C#C[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C11H22Si2/c1-11(10-13(5,6)7)8-9-12(2,3)4/h10H,1-7H3/b11-10+/i10D
InChIKeyAOCQPHOVYFFGHJ-DUIFKMSBSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.48
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-4-trimethylsilyl-1-buten-3-yne
CID 579646
Trimethyl(4-methylpent-3-en-1-ynyl)silane
CID 586141
Silane, (2-methylene-1,3-propanediyl)bis[trimethyl-
CID 642560
Trimethyl(5-methylhexa-3,4-dien-1-yn-1-yl)silane
CID 12670024
Trimethyl-[4-methyl-3-(2-trimethylsilylethynyl)pent-3-en-1-ynyl]silane
CID 15372543
Dimethylbis(3-methyl-3-buten-1-ynyl)silane
CID 85699829
Diethylbis(3-methyl-3-buten-1-ynyl)silane
CID 129810627
2-Methylallylpentamethyldisilane
CID 13298719
Silane, trimethyl(2-methylene-3-butynyl)-
CID 11029908
Trimethyl-(5-propan-2-ylidene-9-trimethylsilylnona-1,3,6,8-tetraynyl)silane
CID 11066401
Trimethyl-(2-methyl-1-trimethylsilylprop-2-enyl)silane
CID 11975393
Tert-butyl-dimethyl-(3-methylbut-3-en-1-ynyl)silane
CID 12112347

Frequently Asked Questions

What is the IUPAC name of [(E)-1-deuterio-2-methyl-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane?
The IUPAC name of [(E)-1-deuterio-2-methyl-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane (CID 13484498) is [(E)-1-deuterio-2-methyl-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane.
What is the SMILES notation for [(E)-1-deuterio-2-methyl-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane?
The canonical SMILES for [(E)-1-deuterio-2-methyl-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane is [2H]/C(=C(/C)C#C[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of [(E)-1-deuterio-2-methyl-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane?
The InChIKey is AOCQPHOVYFFGHJ-DUIFKMSBSA-N. The full InChI is InChI=1S/C11H22Si2/c1-11(10-13(5,6)7)8-9-12(2,3)4/h10H,1-7H3/b11-10+/i10D.
What are the key properties of [(E)-1-deuterio-2-methyl-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane?
[(E)-1-deuterio-2-methyl-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane has a molecular weight of 211.48 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-deuterio-2-methyl-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane is sourced from PubChem (CID 13484498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).