[1,8-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)oct-3-en-1,5,7-triyn-4-yl]-trimethylsilane

C22H36Si4 — CID 15536971

IUPAC[1,8-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)oct-3-en-1,5,7-triyn-4-yl]-trimethylsilane
SMILESC[Si](C)(C)C#CC#CC(=C(C#C[Si](C)(C)C)C#C[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C22H36Si4/c1-23(2,3)18-14-13-15-22(26(10,11)12)21(16-19-24(4,5)6)17-20-25(7,8)9/h1-12H3
InChIKeyBHCUWJPTAPOBMR-UHFFFAOYSA-N
MW412.87 g/mol
LogP5.81
Rot. Bonds1

About [1,8-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)oct-3-en-1,5,7-triyn-4-yl]-trimethylsilane

[1,8-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)oct-3-en-1,5,7-triyn-4-yl]-trimethylsilane (PubChem CID 15536971) has the molecular formula C22H36Si4 and a molecular weight of 412.87 g/mol. Its IUPAC name is [1,8-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)oct-3-en-1,5,7-triyn-4-yl]-trimethylsilane.

Molecular Properties

Compound Name[1,8-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)oct-3-en-1,5,7-triyn-4-yl]-trimethylsilane
PubChem CID15536971
Molecular FormulaC22H36Si4
Molecular Weight412.87 g/mol
Exact Mass412.19
IUPAC Name[1,8-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)oct-3-en-1,5,7-triyn-4-yl]-trimethylsilane
SMILESC[Si](C)(C)C#CC#CC(=C(C#C[Si](C)(C)C)C#C[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C22H36Si4/c1-23(2,3)18-14-13-15-22(26(10,11)12)21(16-19-24(4,5)6)17-20-25(7,8)9/h1-12H3
InChIKeyBHCUWJPTAPOBMR-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.87
LogP ≤ 55.81
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

1,1'-[3,4-Bis[2-(trimethylsilyl)ethynyl]-3-hexene-2,5-diyne-1,6-diyl]bis[1,1,1-trimethylsilane]
CID 11122510
[4-Methyl-3-[2-tri(propan-2-yl)silylethynyl]pent-3-en-1-ynyl]-tri(propan-2-yl)silane
CID 11133507
[4-Ethynyl-3-[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 14908282
Trimethyl-[4-methyl-3-(2-trimethylsilylethynyl)pent-3-en-1-ynyl]silane
CID 15372543
Silane, (2,3-bis(trimethylsilyl)methyl)-2-butene-1,4-diyl)bis(trimethyl-
CID 144042
(3-Ethynyl-4-((triisopropylsilyl)ethynyl)hexa-3-EN-1,5-diyne-1,6-diyl)bis(triisopropylsilane)
CID 14935769
1,6-Bis-(triisopropylsilyl)-3,4-bis[2-(triisopropylsilyl)ethynyl]-3-hexen-1,5-diyne
CID 2756755
[5,10-Di(propan-2-ylidene)-14-tri(propan-2-yl)silyltetradeca-1,3,6,8,11,13-hexaynyl]-tri(propan-2-yl)silane
CID 11017218
Trimethyl-(5-propan-2-ylidene-9-trimethylsilylnona-1,3,6,8-tetraynyl)silane
CID 11066401
[(E)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 11373977
Trimethyl-[10-trimethylsilyl-5,6-bis(4-trimethylsilylbuta-1,3-diynyl)dec-5-en-1,3,7,9-tetraynyl]silane
CID 12124859
[(Z)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 14937102

Frequently Asked Questions

What is the IUPAC name of [1,8-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)oct-3-en-1,5,7-triyn-4-yl]-trimethylsilane?
The IUPAC name of [1,8-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)oct-3-en-1,5,7-triyn-4-yl]-trimethylsilane (CID 15536971) is [1,8-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)oct-3-en-1,5,7-triyn-4-yl]-trimethylsilane.
What is the SMILES notation for [1,8-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)oct-3-en-1,5,7-triyn-4-yl]-trimethylsilane?
The canonical SMILES for [1,8-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)oct-3-en-1,5,7-triyn-4-yl]-trimethylsilane is C[Si](C)(C)C#CC#CC(=C(C#C[Si](C)(C)C)C#C[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of [1,8-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)oct-3-en-1,5,7-triyn-4-yl]-trimethylsilane?
The InChIKey is BHCUWJPTAPOBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36Si4/c1-23(2,3)18-14-13-15-22(26(10,11)12)21(16-19-24(4,5)6)17-20-25(7,8)9/h1-12H3.
What are the key properties of [1,8-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)oct-3-en-1,5,7-triyn-4-yl]-trimethylsilane?
[1,8-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)oct-3-en-1,5,7-triyn-4-yl]-trimethylsilane has a molecular weight of 412.87 g/mol, XLogP of 5.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1,8-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)oct-3-en-1,5,7-triyn-4-yl]-trimethylsilane is sourced from PubChem (CID 15536971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).