2-bicyclo[2.2.1]heptanyl-bis[2-bicyclo[2.2.1]heptanyl(dibromo)silyl]-bromosilane

C21H33Br5Si3 — CID 139879491

IUPAC2-bicyclo[2.2.1]heptanyl-bis[2-bicyclo[2.2.1]heptanyl(dibromo)silyl]-bromosilane
SMILESBr[Si](Br)(C1CC2CCC1C2)[Si](Br)(C1CC2CCC1C2)[Si](Br)(Br)C1CC2CCC1C2
InChIInChI=1S/C21H33Br5Si3/c22-27(23,19-10-13-1-4-16(19)7-13)29(26,21-12-15-3-6-18(21)9-15)28(24,25)20-11-14-2-5-17(20)8-14/h13-21H,1-12H2
InChIKeyOVWTWHVCTWPRNF-UHFFFAOYSA-N
MW769.27 g/mol
LogP9.52
Rot. Bonds5

About 2-bicyclo[2.2.1]heptanyl-bis[2-bicyclo[2.2.1]heptanyl(dibromo)silyl]-bromosilane

2-bicyclo[2.2.1]heptanyl-bis[2-bicyclo[2.2.1]heptanyl(dibromo)silyl]-bromosilane (PubChem CID 139879491) has the molecular formula C21H33Br5Si3 and a molecular weight of 769.27 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-bis[2-bicyclo[2.2.1]heptanyl(dibromo)silyl]-bromosilane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-bis[2-bicyclo[2.2.1]heptanyl(dibromo)silyl]-bromosilane
PubChem CID139879491
Molecular FormulaC21H33Br5Si3
Molecular Weight769.27 g/mol
Exact Mass763.78
IUPAC Name2-bicyclo[2.2.1]heptanyl-bis[2-bicyclo[2.2.1]heptanyl(dibromo)silyl]-bromosilane
SMILESBr[Si](Br)(C1CC2CCC1C2)[Si](Br)(C1CC2CCC1C2)[Si](Br)(Br)C1CC2CCC1C2
InChIInChI=1S/C21H33Br5Si3/c22-27(23,19-10-13-1-4-16(19)7-13)29(26,21-12-15-3-6-18(21)9-15)28(24,25)20-11-14-2-5-17(20)8-14/h13-21H,1-12H2
InChIKeyOVWTWHVCTWPRNF-UHFFFAOYSA-N
XLogP9.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.27
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-trimethylsilane
CID 125472918
2-bicyclo[2.2.1]heptanyl-dimethoxy-methylsilane
CID 54452110
2-bicyclo[2.2.1]heptanyl-cyclopentyl-dimethoxysilane
CID 139668826
2-bicyclo[2.2.1]heptanyl-ethynyl-dimethylsilane
CID 15050662
2-(dibromomethyl)bicyclo[2.2.1]heptane
CID 68736675
2-bicyclo[2.2.1]heptanyl-dimethoxy-propan-2-ylsilane
CID 175433722
bis(2-bicyclo[2.2.1]heptanyl)-diphenoxysilane
CID 66915791
tricyclo[5.3.2.04,9]dodecane
CID 54490019
2-bicyclo[2.2.1]heptanyl(sulfanyl)silane
CID 173447991
(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505
(1S,2S,4S)-2-(bromomethyl)bicyclo[2.2.1]heptane
CID 12625652
2-bromobicyclo[2.2.1]heptane;methanamine
CID 174462480

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-bis[2-bicyclo[2.2.1]heptanyl(dibromo)silyl]-bromosilane?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-bis[2-bicyclo[2.2.1]heptanyl(dibromo)silyl]-bromosilane (CID 139879491) is 2-bicyclo[2.2.1]heptanyl-bis[2-bicyclo[2.2.1]heptanyl(dibromo)silyl]-bromosilane.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-bis[2-bicyclo[2.2.1]heptanyl(dibromo)silyl]-bromosilane?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-bis[2-bicyclo[2.2.1]heptanyl(dibromo)silyl]-bromosilane is Br[Si](Br)(C1CC2CCC1C2)[Si](Br)(C1CC2CCC1C2)[Si](Br)(Br)C1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-bis[2-bicyclo[2.2.1]heptanyl(dibromo)silyl]-bromosilane?
The InChIKey is OVWTWHVCTWPRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33Br5Si3/c22-27(23,19-10-13-1-4-16(19)7-13)29(26,21-12-15-3-6-18(21)9-15)28(24,25)20-11-14-2-5-17(20)8-14/h13-21H,1-12H2.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-bis[2-bicyclo[2.2.1]heptanyl(dibromo)silyl]-bromosilane?
2-bicyclo[2.2.1]heptanyl-bis[2-bicyclo[2.2.1]heptanyl(dibromo)silyl]-bromosilane has a molecular weight of 769.27 g/mol, XLogP of 9.52, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-bis[2-bicyclo[2.2.1]heptanyl(dibromo)silyl]-bromosilane is sourced from PubChem (CID 139879491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).