3,3-bis(2-trimethylsilylethynyl)pent-4-en-1-ynyl-trimethylsilane

C18H30Si3 — CID 11724226

IUPAC3,3-bis(2-trimethylsilylethynyl)pent-4-en-1-ynyl-trimethylsilane
SMILESC=CC(C#C[Si](C)(C)C)(C#C[Si](C)(C)C)C#C[Si](C)(C)C
InChIInChI=1S/C18H30Si3/c1-11-18(12-15-19(2,3)4,13-16-20(5,6)7)14-17-21(8,9)10/h11H,1H2,2-10H3
InChIKeyASNWWOXVABYLGE-UHFFFAOYSA-N
MW330.70 g/mol
LogP4.80
Rot. Bonds1

About 3,3-bis(2-trimethylsilylethynyl)pent-4-en-1-ynyl-trimethylsilane

3,3-bis(2-trimethylsilylethynyl)pent-4-en-1-ynyl-trimethylsilane (PubChem CID 11724226) has the molecular formula C18H30Si3 and a molecular weight of 330.70 g/mol. Its IUPAC name is 3,3-bis(2-trimethylsilylethynyl)pent-4-en-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name3,3-bis(2-trimethylsilylethynyl)pent-4-en-1-ynyl-trimethylsilane
PubChem CID11724226
Molecular FormulaC18H30Si3
Molecular Weight330.70 g/mol
Exact Mass330.17
IUPAC Name3,3-bis(2-trimethylsilylethynyl)pent-4-en-1-ynyl-trimethylsilane
SMILESC=CC(C#C[Si](C)(C)C)(C#C[Si](C)(C)C)C#C[Si](C)(C)C
InChIInChI=1S/C18H30Si3/c1-11-18(12-15-19(2,3)4,13-16-20(5,6)7)14-17-21(8,9)10/h11H,1H2,2-10H3
InChIKeyASNWWOXVABYLGE-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.70
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Triethyl-[3-methyl-3-(2-triethylsilylethynyl)pent-4-en-1-ynyl]silane
CID 86059387
3,3-Bis(2-triethylsilylethynyl)pent-4-en-1-ynyl-triethylsilane
CID 102353043
trimethyl-[(3E,7E,11E)-2,2,13,13-tetramethyl-8-trimethylsilyltetradeca-3,7,11-trien-5,9-diyn-7-yl]silane
CID 102473890
Tert-butyl-dimethyl-pent-4-en-1-ynylsilane
CID 86059360
Trimethyl-(3-methyl-3-trimethylsilylpent-4-en-1-ynyl)silane
CID 10082370
Tert-butyl-[4-[tert-butyl(dimethyl)silyl]hexa-4,5-dien-1-ynyl]-dimethylsilane
CID 10267182
6,6-Dimethylhepta-3,4-dien-1-ynyl(triethyl)silane
CID 14006174
[3-Ethenyl-3-(2-triethylsilylethynyl)nona-1,4-diynyl]-triethylsilane
CID 86059374
[(3E,7E)-11,11-dimethyldodeca-3,7-dien-1,5,9-triynyl]-trimethylsilane
CID 101226612
5,5-Bis(2-triethylsilylethynyl)hept-6-en-1,3-diynyl-triethylsilane
CID 101740265
tert-butyl-dimethyl-[(1E)-3-methyl-3-[2-tri(propan-2-yl)silylethynyl]penta-1,4-dienyl]silane
CID 101868200
[(1E)-3,3-bis[2-tri(propan-2-yl)silylethynyl]penta-1,4-dienyl]-tert-butyl-dimethylsilane
CID 101868201

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(2-trimethylsilylethynyl)pent-4-en-1-ynyl-trimethylsilane?
The IUPAC name of 3,3-bis(2-trimethylsilylethynyl)pent-4-en-1-ynyl-trimethylsilane (CID 11724226) is 3,3-bis(2-trimethylsilylethynyl)pent-4-en-1-ynyl-trimethylsilane.
What is the SMILES notation for 3,3-bis(2-trimethylsilylethynyl)pent-4-en-1-ynyl-trimethylsilane?
The canonical SMILES for 3,3-bis(2-trimethylsilylethynyl)pent-4-en-1-ynyl-trimethylsilane is C=CC(C#C[Si](C)(C)C)(C#C[Si](C)(C)C)C#C[Si](C)(C)C.
What is the InChIKey of 3,3-bis(2-trimethylsilylethynyl)pent-4-en-1-ynyl-trimethylsilane?
The InChIKey is ASNWWOXVABYLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30Si3/c1-11-18(12-15-19(2,3)4,13-16-20(5,6)7)14-17-21(8,9)10/h11H,1H2,2-10H3.
What are the key properties of 3,3-bis(2-trimethylsilylethynyl)pent-4-en-1-ynyl-trimethylsilane?
3,3-bis(2-trimethylsilylethynyl)pent-4-en-1-ynyl-trimethylsilane has a molecular weight of 330.70 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(2-trimethylsilylethynyl)pent-4-en-1-ynyl-trimethylsilane is sourced from PubChem (CID 11724226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).