tert-butyl-dimethyl-[[(7E)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane

C25H36OSi — CID 176516785

IUPACtert-butyl-dimethyl-[[(7E)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane
SMILESC=C1C#CC2(O[Si](C)(C)C(C)(C)C)CCC=C(C#C/C(C)=C\CC1)C2(C)C
InChIInChI=1S/C25H36OSi/c1-20-12-10-13-21(2)17-19-25(26-27(8,9)23(3,4)5)18-11-14-22(16-15-20)24(25,6)7/h12,14H,2,10-11,13,18H2,1,3-9H3/b20-12-
InChIKeyLKVKURAHQJKIBT-NDENLUEZSA-N
MW380.65 g/mol
LogP6.80
Rot. Bonds2

About tert-butyl-dimethyl-[[(7E)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane

tert-butyl-dimethyl-[[(7E)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane (PubChem CID 176516785) has the molecular formula C25H36OSi and a molecular weight of 380.65 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(7E)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(7E)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane
PubChem CID176516785
Molecular FormulaC25H36OSi
Molecular Weight380.65 g/mol
Exact Mass380.25
IUPAC Nametert-butyl-dimethyl-[[(7E)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane
SMILESC=C1C#CC2(O[Si](C)(C)C(C)(C)C)CCC=C(C#C/C(C)=C\CC1)C2(C)C
InChIInChI=1S/C25H36OSi/c1-20-12-10-13-21(2)17-19-25(26-27(8,9)23(3,4)5)18-11-14-22(16-15-20)24(25,6)7/h12,14H,2,10-11,13,18H2,1,3-9H3/b20-12-
InChIKeyLKVKURAHQJKIBT-NDENLUEZSA-N
XLogP6.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.65
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(7E)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(7E)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane (CID 176516785) is tert-butyl-dimethyl-[[(7E)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(7E)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(7E)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane is C=C1C#CC2(O[Si](C)(C)C(C)(C)C)CCC=C(C#C/C(C)=C\CC1)C2(C)C.
What is the InChIKey of tert-butyl-dimethyl-[[(7E)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane?
The InChIKey is LKVKURAHQJKIBT-NDENLUEZSA-N. The full InChI is InChI=1S/C25H36OSi/c1-20-12-10-13-21(2)17-19-25(26-27(8,9)23(3,4)5)18-11-14-22(16-15-20)24(25,6)7/h12,14H,2,10-11,13,18H2,1,3-9H3/b20-12-.
What are the key properties of tert-butyl-dimethyl-[[(7E)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane?
tert-butyl-dimethyl-[[(7E)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane has a molecular weight of 380.65 g/mol, XLogP of 6.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(7E)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane is sourced from PubChem (CID 176516785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).