trimethyl-[(Z)-4-[4-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cuban-1-yl]but-3-en-1-ynyl]silane

C22H28Si2 — CID 11152256

IUPACtrimethyl-[(Z)-4-[4-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cuban-1-yl]but-3-en-1-ynyl]silane
SMILESC[Si](C)(C)C#C/C=C\C12C3C4C1C1C2C3C41/C=C\C#C[Si](C)(C)C
InChIInChI=1S/C22H28Si2/c1-23(2,3)13-9-7-11-21-15-18-16(21)20-17(21)19(15)22(18,20)12-8-10-14-24(4,5)6/h7-8,11-12,15-20H,1-6H3/b11-7-,12-8-
InChIKeyJVCQHZOJLVTPOD-OXAWKVHCSA-N
MW348.64 g/mol
LogP4.60
Rot. Bonds2

About trimethyl-[(Z)-4-[4-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cuban-1-yl]but-3-en-1-ynyl]silane

trimethyl-[(Z)-4-[4-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cuban-1-yl]but-3-en-1-ynyl]silane (PubChem CID 11152256) has the molecular formula C22H28Si2 and a molecular weight of 348.64 g/mol. Its IUPAC name is trimethyl-[(Z)-4-[4-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cuban-1-yl]but-3-en-1-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[(Z)-4-[4-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cuban-1-yl]but-3-en-1-ynyl]silane
PubChem CID11152256
Molecular FormulaC22H28Si2
Molecular Weight348.64 g/mol
Exact Mass348.17
IUPAC Nametrimethyl-[(Z)-4-[4-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cuban-1-yl]but-3-en-1-ynyl]silane
SMILESC[Si](C)(C)C#C/C=C\C12C3C4C1C1C2C3C41/C=C\C#C[Si](C)(C)C
InChIInChI=1S/C22H28Si2/c1-23(2,3)13-9-7-11-21-15-18-16(21)20-17(21)19(15)22(18,20)12-8-10-14-24(4,5)6/h7-8,11-12,15-20H,1-6H3/b11-7-,12-8-
InChIKeyJVCQHZOJLVTPOD-OXAWKVHCSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.64
LogP ≤ 54.60
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

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[(Z)-4-ethoxybut-3-en-1-ynyl]-trimethylsilane
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[(E)-7-ethoxyhept-3-en-1,5-diynyl]-trimethylsilane
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trimethyl-[(E)-tetradec-3-en-1-ynyl]silane
CID 14615393

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(Z)-4-[4-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cuban-1-yl]but-3-en-1-ynyl]silane?
The IUPAC name of trimethyl-[(Z)-4-[4-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cuban-1-yl]but-3-en-1-ynyl]silane (CID 11152256) is trimethyl-[(Z)-4-[4-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cuban-1-yl]but-3-en-1-ynyl]silane.
What is the SMILES notation for trimethyl-[(Z)-4-[4-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cuban-1-yl]but-3-en-1-ynyl]silane?
The canonical SMILES for trimethyl-[(Z)-4-[4-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cuban-1-yl]but-3-en-1-ynyl]silane is C[Si](C)(C)C#C/C=C\C12C3C4C1C1C2C3C41/C=C\C#C[Si](C)(C)C.
What is the InChIKey of trimethyl-[(Z)-4-[4-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cuban-1-yl]but-3-en-1-ynyl]silane?
The InChIKey is JVCQHZOJLVTPOD-OXAWKVHCSA-N. The full InChI is InChI=1S/C22H28Si2/c1-23(2,3)13-9-7-11-21-15-18-16(21)20-17(21)19(15)22(18,20)12-8-10-14-24(4,5)6/h7-8,11-12,15-20H,1-6H3/b11-7-,12-8-.
What are the key properties of trimethyl-[(Z)-4-[4-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cuban-1-yl]but-3-en-1-ynyl]silane?
trimethyl-[(Z)-4-[4-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cuban-1-yl]but-3-en-1-ynyl]silane has a molecular weight of 348.64 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(Z)-4-[4-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cuban-1-yl]but-3-en-1-ynyl]silane is sourced from PubChem (CID 11152256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).