1,7,7-trimethyl-2-tribromosilylbicyclo[2.2.1]heptan-2-ol

C10H17Br3OSi — CID 141126262

IUPAC1,7,7-trimethyl-2-tribromosilylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)C2CCC1(C)C(O)([Si](Br)(Br)Br)C2
InChIInChI=1S/C10H17Br3OSi/c1-8(2)7-4-5-9(8,3)10(14,6-7)15(11,12)13/h7,14H,4-6H2,1-3H3
InChIKeyLRPIUDKYLBEVRT-UHFFFAOYSA-N
MW421.04 g/mol
LogP4.23
Rot. Bonds1

About 1,7,7-trimethyl-2-tribromosilylbicyclo[2.2.1]heptan-2-ol

1,7,7-trimethyl-2-tribromosilylbicyclo[2.2.1]heptan-2-ol (PubChem CID 141126262) has the molecular formula C10H17Br3OSi and a molecular weight of 421.04 g/mol. Its IUPAC name is 1,7,7-trimethyl-2-tribromosilylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name1,7,7-trimethyl-2-tribromosilylbicyclo[2.2.1]heptan-2-ol
PubChem CID141126262
Molecular FormulaC10H17Br3OSi
Molecular Weight421.04 g/mol
Exact Mass417.86
IUPAC Name1,7,7-trimethyl-2-tribromosilylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)C2CCC1(C)C(O)([Si](Br)(Br)Br)C2
InChIInChI=1S/C10H17Br3OSi/c1-8(2)7-4-5-9(8,3)10(14,6-7)15(11,12)13/h7,14H,4-6H2,1-3H3
InChIKeyLRPIUDKYLBEVRT-UHFFFAOYSA-N
XLogP4.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.04
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,7,7-trimethyl-2-tribromosilylbicyclo[2.2.1]heptan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-2-tribromosilylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 1,7,7-trimethyl-2-tribromosilylbicyclo[2.2.1]heptan-2-ol (CID 141126262) is 1,7,7-trimethyl-2-tribromosilylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 1,7,7-trimethyl-2-tribromosilylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 1,7,7-trimethyl-2-tribromosilylbicyclo[2.2.1]heptan-2-ol is CC1(C)C2CCC1(C)C(O)([Si](Br)(Br)Br)C2.
What is the InChIKey of 1,7,7-trimethyl-2-tribromosilylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is LRPIUDKYLBEVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Br3OSi/c1-8(2)7-4-5-9(8,3)10(14,6-7)15(11,12)13/h7,14H,4-6H2,1-3H3.
What are the key properties of 1,7,7-trimethyl-2-tribromosilylbicyclo[2.2.1]heptan-2-ol?
1,7,7-trimethyl-2-tribromosilylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 421.04 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-2-tribromosilylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 141126262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).