tert-butyl-[(4Z)-8-[tert-butyl(dimethyl)silyl]oxycyclododec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane

C24H42O2Si2 — CID 134977934

IUPACtert-butyl-[(4Z)-8-[tert-butyl(dimethyl)silyl]oxycyclododec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1C#C/C=C\C#CC(O[Si](C)(C)C(C)(C)C)CCCC1
InChIInChI=1S/C24H42O2Si2/c1-23(2,3)27(7,8)25-21-17-13-11-12-14-18-22(20-16-15-19-21)26-28(9,10)24(4,5)6/h11-12,21-22H,15-16,19-20H2,1-10H3/b12-11-
InChIKeyCDXRWTLNUCMIRE-QXMHVHEDSA-N
MW418.77 g/mol
LogP6.90
Rot. Bonds4

About tert-butyl-[(4Z)-8-[tert-butyl(dimethyl)silyl]oxycyclododec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane

tert-butyl-[(4Z)-8-[tert-butyl(dimethyl)silyl]oxycyclododec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane (PubChem CID 134977934) has the molecular formula C24H42O2Si2 and a molecular weight of 418.77 g/mol. Its IUPAC name is tert-butyl-[(4Z)-8-[tert-butyl(dimethyl)silyl]oxycyclododec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4Z)-8-[tert-butyl(dimethyl)silyl]oxycyclododec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane
PubChem CID134977934
Molecular FormulaC24H42O2Si2
Molecular Weight418.77 g/mol
Exact Mass418.27
IUPAC Nametert-butyl-[(4Z)-8-[tert-butyl(dimethyl)silyl]oxycyclododec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1C#C/C=C\C#CC(O[Si](C)(C)C(C)(C)C)CCCC1
InChIInChI=1S/C24H42O2Si2/c1-23(2,3)27(7,8)25-21-17-13-11-12-14-18-22(20-16-15-19-21)26-28(9,10)24(4,5)6/h11-12,21-22H,15-16,19-20H2,1-10H3/b12-11-
InChIKeyCDXRWTLNUCMIRE-QXMHVHEDSA-N
XLogP6.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.77
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-[(4Z)-8-[tert-butyl(dimethyl)silyl]oxycyclododec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane with MolForge

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Related Compounds

tert-butyl-[(4Z)-8-[tert-butyl(dimethyl)silyl]oxycycloundec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane
CID 134977391
Tert-butyl-dimethyl-(2-methyltridec-2-en-4-yn-6-yloxy)silane
CID 134977729
Tert-butyl-hexadec-9-en-7,11-diynoxy-dimethylsilane
CID 90798688
Tris(prop-2-enyl)-[1-tris(prop-2-enyl)silyloxyoctan-4-yloxy]silane
CID 141353569
tert-butyl-[(E,10S)-10-[tert-butyl(dimethyl)silyl]oxyheptadec-8-en-4,6-diynoxy]-dimethylsilane
CID 11329343
tert-butyl-dimethyl-[(4R)-1-trimethylsilyltetradec-13-en-1-yn-4-yl]oxysilane
CID 11858913

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4Z)-8-[tert-butyl(dimethyl)silyl]oxycyclododec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(4Z)-8-[tert-butyl(dimethyl)silyl]oxycyclododec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane (CID 134977934) is tert-butyl-[(4Z)-8-[tert-butyl(dimethyl)silyl]oxycyclododec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4Z)-8-[tert-butyl(dimethyl)silyl]oxycyclododec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(4Z)-8-[tert-butyl(dimethyl)silyl]oxycyclododec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)OC1C#C/C=C\C#CC(O[Si](C)(C)C(C)(C)C)CCCC1.
What is the InChIKey of tert-butyl-[(4Z)-8-[tert-butyl(dimethyl)silyl]oxycyclododec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane?
The InChIKey is CDXRWTLNUCMIRE-QXMHVHEDSA-N. The full InChI is InChI=1S/C24H42O2Si2/c1-23(2,3)27(7,8)25-21-17-13-11-12-14-18-22(20-16-15-19-21)26-28(9,10)24(4,5)6/h11-12,21-22H,15-16,19-20H2,1-10H3/b12-11-.
What are the key properties of tert-butyl-[(4Z)-8-[tert-butyl(dimethyl)silyl]oxycyclododec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane?
tert-butyl-[(4Z)-8-[tert-butyl(dimethyl)silyl]oxycyclododec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane has a molecular weight of 418.77 g/mol, XLogP of 6.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4Z)-8-[tert-butyl(dimethyl)silyl]oxycyclododec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 134977934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).