tert-butyl-dimethyl-[(8-methyl-10-tricyclo[6.2.1.03,9]undec-2-enyl)oxy]silane

C18H32OSi — CID 101385537

IUPACtert-butyl-dimethyl-[(8-methyl-10-tricyclo[6.2.1.03,9]undec-2-enyl)oxy]silane
SMILESCC12CCCCC3=CC(C1)C(O[Si](C)(C)C(C)(C)C)C32
InChIInChI=1S/C18H32OSi/c1-17(2,3)20(5,6)19-16-14-11-13-9-7-8-10-18(4,12-14)15(13)16/h11,14-16H,7-10,12H2,1-6H3
InChIKeyQAYIBRWOZYRJEH-UHFFFAOYSA-N
MW292.54 g/mol
LogP5.53
Rot. Bonds2

About tert-butyl-dimethyl-[(8-methyl-10-tricyclo[6.2.1.03,9]undec-2-enyl)oxy]silane

tert-butyl-dimethyl-[(8-methyl-10-tricyclo[6.2.1.03,9]undec-2-enyl)oxy]silane (PubChem CID 101385537) has the molecular formula C18H32OSi and a molecular weight of 292.54 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(8-methyl-10-tricyclo[6.2.1.03,9]undec-2-enyl)oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(8-methyl-10-tricyclo[6.2.1.03,9]undec-2-enyl)oxy]silane
PubChem CID101385537
Molecular FormulaC18H32OSi
Molecular Weight292.54 g/mol
Exact Mass292.22
IUPAC Nametert-butyl-dimethyl-[(8-methyl-10-tricyclo[6.2.1.03,9]undec-2-enyl)oxy]silane
SMILESCC12CCCCC3=CC(C1)C(O[Si](C)(C)C(C)(C)C)C32
InChIInChI=1S/C18H32OSi/c1-17(2,3)20(5,6)19-16-14-11-13-9-7-8-10-18(4,12-14)15(13)16/h11,14-16H,7-10,12H2,1-6H3
InChIKeyQAYIBRWOZYRJEH-UHFFFAOYSA-N
XLogP5.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.54
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(8-methyl-10-tricyclo[6.2.1.03,9]undec-2-enyl)oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(8-methyl-10-tricyclo[6.2.1.03,9]undec-2-enyl)oxy]silane (CID 101385537) is tert-butyl-dimethyl-[(8-methyl-10-tricyclo[6.2.1.03,9]undec-2-enyl)oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(8-methyl-10-tricyclo[6.2.1.03,9]undec-2-enyl)oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(8-methyl-10-tricyclo[6.2.1.03,9]undec-2-enyl)oxy]silane is CC12CCCCC3=CC(C1)C(O[Si](C)(C)C(C)(C)C)C32.
What is the InChIKey of tert-butyl-dimethyl-[(8-methyl-10-tricyclo[6.2.1.03,9]undec-2-enyl)oxy]silane?
The InChIKey is QAYIBRWOZYRJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32OSi/c1-17(2,3)20(5,6)19-16-14-11-13-9-7-8-10-18(4,12-14)15(13)16/h11,14-16H,7-10,12H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[(8-methyl-10-tricyclo[6.2.1.03,9]undec-2-enyl)oxy]silane?
tert-butyl-dimethyl-[(8-methyl-10-tricyclo[6.2.1.03,9]undec-2-enyl)oxy]silane has a molecular weight of 292.54 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(8-methyl-10-tricyclo[6.2.1.03,9]undec-2-enyl)oxy]silane is sourced from PubChem (CID 101385537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).