tert-butyl-dimethyl-[(11-methyl-3-oxatricyclo[6.4.0.02,7]dodeca-1(8),9,11-trien-2-yl)oxy]silane

C18H28O2Si — CID 10566451

IUPACtert-butyl-dimethyl-[(11-methyl-3-oxatricyclo[6.4.0.02,7]dodeca-1(8),9,11-trien-2-yl)oxy]silane
SMILESCc1ccc2c(c1)C1(O[Si](C)(C)C(C)(C)C)OCCCC21
InChIInChI=1S/C18H28O2Si/c1-13-9-10-14-15-8-7-11-19-18(15,16(14)12-13)20-21(5,6)17(2,3)4/h9-10,12,15H,7-8,11H2,1-6H3
InChIKeyCHEQFKBDKPJYMO-UHFFFAOYSA-N
MW304.51 g/mol
LogP5.08
Rot. Bonds2

About tert-butyl-dimethyl-[(11-methyl-3-oxatricyclo[6.4.0.02,7]dodeca-1(8),9,11-trien-2-yl)oxy]silane

tert-butyl-dimethyl-[(11-methyl-3-oxatricyclo[6.4.0.02,7]dodeca-1(8),9,11-trien-2-yl)oxy]silane (PubChem CID 10566451) has the molecular formula C18H28O2Si and a molecular weight of 304.51 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(11-methyl-3-oxatricyclo[6.4.0.02,7]dodeca-1(8),9,11-trien-2-yl)oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(11-methyl-3-oxatricyclo[6.4.0.02,7]dodeca-1(8),9,11-trien-2-yl)oxy]silane
PubChem CID10566451
Molecular FormulaC18H28O2Si
Molecular Weight304.51 g/mol
Exact Mass304.19
IUPAC Nametert-butyl-dimethyl-[(11-methyl-3-oxatricyclo[6.4.0.02,7]dodeca-1(8),9,11-trien-2-yl)oxy]silane
SMILESCc1ccc2c(c1)C1(O[Si](C)(C)C(C)(C)C)OCCCC21
InChIInChI=1S/C18H28O2Si/c1-13-9-10-14-15-8-7-11-19-18(15,16(14)12-13)20-21(5,6)17(2,3)4/h9-10,12,15H,7-8,11H2,1-6H3
InChIKeyCHEQFKBDKPJYMO-UHFFFAOYSA-N
XLogP5.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.51
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(11-methyl-3-oxatricyclo[6.4.0.02,7]dodeca-1(8),9,11-trien-2-yl)oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(11-methyl-3-oxatricyclo[6.4.0.02,7]dodeca-1(8),9,11-trien-2-yl)oxy]silane (CID 10566451) is tert-butyl-dimethyl-[(11-methyl-3-oxatricyclo[6.4.0.02,7]dodeca-1(8),9,11-trien-2-yl)oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(11-methyl-3-oxatricyclo[6.4.0.02,7]dodeca-1(8),9,11-trien-2-yl)oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(11-methyl-3-oxatricyclo[6.4.0.02,7]dodeca-1(8),9,11-trien-2-yl)oxy]silane is Cc1ccc2c(c1)C1(O[Si](C)(C)C(C)(C)C)OCCCC21.
What is the InChIKey of tert-butyl-dimethyl-[(11-methyl-3-oxatricyclo[6.4.0.02,7]dodeca-1(8),9,11-trien-2-yl)oxy]silane?
The InChIKey is CHEQFKBDKPJYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2Si/c1-13-9-10-14-15-8-7-11-19-18(15,16(14)12-13)20-21(5,6)17(2,3)4/h9-10,12,15H,7-8,11H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[(11-methyl-3-oxatricyclo[6.4.0.02,7]dodeca-1(8),9,11-trien-2-yl)oxy]silane?
tert-butyl-dimethyl-[(11-methyl-3-oxatricyclo[6.4.0.02,7]dodeca-1(8),9,11-trien-2-yl)oxy]silane has a molecular weight of 304.51 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(11-methyl-3-oxatricyclo[6.4.0.02,7]dodeca-1(8),9,11-trien-2-yl)oxy]silane is sourced from PubChem (CID 10566451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).