tert-butyl-(1,1-dimethylspiro[2-benzofuran-3,4'-tricyclo[4.3.1.13,8]undecane]-5-yl)oxy-dimethylsilane

C26H40O2Si — CID 102330678

IUPACtert-butyl-(1,1-dimethylspiro[2-benzofuran-3,4'-tricyclo[4.3.1.13,8]undecane]-5-yl)oxy-dimethylsilane
SMILESCC1(C)OC2(CC3CC4CC(C3)CC2C4)c2cc(O[Si](C)(C)C(C)(C)C)ccc21
InChIInChI=1S/C26H40O2Si/c1-24(2,3)29(6,7)27-21-8-9-22-23(15-21)26(28-25(22,4)5)16-19-11-17-10-18(12-19)14-20(26)13-17/h8-9,15,17-20H,10-14,16H2,1-7H3
InChIKeyKPELPKWDAOOZIA-UHFFFAOYSA-N
MW412.69 g/mol
LogP7.38
Rot. Bonds2

About tert-butyl-(1,1-dimethylspiro[2-benzofuran-3,4'-tricyclo[4.3.1.13,8]undecane]-5-yl)oxy-dimethylsilane

tert-butyl-(1,1-dimethylspiro[2-benzofuran-3,4'-tricyclo[4.3.1.13,8]undecane]-5-yl)oxy-dimethylsilane (PubChem CID 102330678) has the molecular formula C26H40O2Si and a molecular weight of 412.69 g/mol. Its IUPAC name is tert-butyl-(1,1-dimethylspiro[2-benzofuran-3,4'-tricyclo[4.3.1.13,8]undecane]-5-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(1,1-dimethylspiro[2-benzofuran-3,4'-tricyclo[4.3.1.13,8]undecane]-5-yl)oxy-dimethylsilane
PubChem CID102330678
Molecular FormulaC26H40O2Si
Molecular Weight412.69 g/mol
Exact Mass412.28
IUPAC Nametert-butyl-(1,1-dimethylspiro[2-benzofuran-3,4'-tricyclo[4.3.1.13,8]undecane]-5-yl)oxy-dimethylsilane
SMILESCC1(C)OC2(CC3CC4CC(C3)CC2C4)c2cc(O[Si](C)(C)C(C)(C)C)ccc21
InChIInChI=1S/C26H40O2Si/c1-24(2,3)29(6,7)27-21-8-9-22-23(15-21)26(28-25(22,4)5)16-19-11-17-10-18(12-19)14-20(26)13-17/h8-9,15,17-20H,10-14,16H2,1-7H3
InChIKeyKPELPKWDAOOZIA-UHFFFAOYSA-N
XLogP7.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.69
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(1,1-dimethylspiro[2-benzofuran-3,4'-tricyclo[4.3.1.13,8]undecane]-5-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(1,1-dimethylspiro[2-benzofuran-3,4'-tricyclo[4.3.1.13,8]undecane]-5-yl)oxy-dimethylsilane (CID 102330678) is tert-butyl-(1,1-dimethylspiro[2-benzofuran-3,4'-tricyclo[4.3.1.13,8]undecane]-5-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(1,1-dimethylspiro[2-benzofuran-3,4'-tricyclo[4.3.1.13,8]undecane]-5-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(1,1-dimethylspiro[2-benzofuran-3,4'-tricyclo[4.3.1.13,8]undecane]-5-yl)oxy-dimethylsilane is CC1(C)OC2(CC3CC4CC(C3)CC2C4)c2cc(O[Si](C)(C)C(C)(C)C)ccc21.
What is the InChIKey of tert-butyl-(1,1-dimethylspiro[2-benzofuran-3,4'-tricyclo[4.3.1.13,8]undecane]-5-yl)oxy-dimethylsilane?
The InChIKey is KPELPKWDAOOZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40O2Si/c1-24(2,3)29(6,7)27-21-8-9-22-23(15-21)26(28-25(22,4)5)16-19-11-17-10-18(12-19)14-20(26)13-17/h8-9,15,17-20H,10-14,16H2,1-7H3.
What are the key properties of tert-butyl-(1,1-dimethylspiro[2-benzofuran-3,4'-tricyclo[4.3.1.13,8]undecane]-5-yl)oxy-dimethylsilane?
tert-butyl-(1,1-dimethylspiro[2-benzofuran-3,4'-tricyclo[4.3.1.13,8]undecane]-5-yl)oxy-dimethylsilane has a molecular weight of 412.69 g/mol, XLogP of 7.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1,1-dimethylspiro[2-benzofuran-3,4'-tricyclo[4.3.1.13,8]undecane]-5-yl)oxy-dimethylsilane is sourced from PubChem (CID 102330678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).