(4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[[3-(2,2-dimethylpropyl)cyclopentyl]-dimethylsilyl]-dimethylsilane

C23H45BrSi2 — CID 153426843

IUPAC(4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[[3-(2,2-dimethylpropyl)cyclopentyl]-dimethylsilyl]-dimethylsilane
SMILESCC(C)(C)CC1CCC([Si](C)(C)[Si](C)(C)C2CCC3C(Br)CCCC32)C1
InChIInChI=1S/C23H45BrSi2/c1-23(2,3)16-17-11-12-18(15-17)25(4,5)26(6,7)22-14-13-19-20(22)9-8-10-21(19)24/h17-22H,8-16H2,1-7H3
InChIKeyGPFBNASTROSFKK-UHFFFAOYSA-N
MW457.69 g/mol
LogP8.43
Rot. Bonds4

About (4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[[3-(2,2-dimethylpropyl)cyclopentyl]-dimethylsilyl]-dimethylsilane

(4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[[3-(2,2-dimethylpropyl)cyclopentyl]-dimethylsilyl]-dimethylsilane (PubChem CID 153426843) has the molecular formula C23H45BrSi2 and a molecular weight of 457.69 g/mol. Its IUPAC name is (4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[[3-(2,2-dimethylpropyl)cyclopentyl]-dimethylsilyl]-dimethylsilane.

Molecular Properties

Compound Name(4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[[3-(2,2-dimethylpropyl)cyclopentyl]-dimethylsilyl]-dimethylsilane
PubChem CID153426843
Molecular FormulaC23H45BrSi2
Molecular Weight457.69 g/mol
Exact Mass456.22
IUPAC Name(4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[[3-(2,2-dimethylpropyl)cyclopentyl]-dimethylsilyl]-dimethylsilane
SMILESCC(C)(C)CC1CCC([Si](C)(C)[Si](C)(C)C2CCC3C(Br)CCCC32)C1
InChIInChI=1S/C23H45BrSi2/c1-23(2,3)16-17-11-12-18(15-17)25(4,5)26(6,7)22-14-13-19-20(22)9-8-10-21(19)24/h17-22H,8-16H2,1-7H3
InChIKeyGPFBNASTROSFKK-UHFFFAOYSA-N
XLogP8.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.69
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[[3-(2,2-dimethylpropyl)cyclopentyl]-dimethylsilyl]-dimethylsilane with MolForge

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Related Compounds

(4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-cyclopentyl-dimethylsilane
CID 57723629
(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-cyclopentyl-dimethylsilane
CID 57723661
bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-diethylsilane
CID 58692107
bis(4-bromo-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
CID 58692118
bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
CID 59832505
(4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
CID 59832556
(4-Bromo-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-[(3-butylcyclopentyl)-dimethylsilyl]-dimethylsilane
CID 141666605
(4-Bromo-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-[(3-butylcyclopentyl)-methylsilyl]-methylsilane
CID 141666657
(4-Bromo-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-[(3-butylcyclopentyl)-dimethylsilyl]-dimethylsilane
CID 141666744
(4-Bromo-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-[(3-butylcyclopentyl)-methylsilyl]-methylsilane
CID 141666791
(4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[cyclopentyl(dimethyl)silyl]-dimethylsilane
CID 141666792
(4-Bromo-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-[cyclopentyl(dimethyl)silyl]-dimethylsilane
CID 141666809

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[[3-(2,2-dimethylpropyl)cyclopentyl]-dimethylsilyl]-dimethylsilane?
The IUPAC name of (4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[[3-(2,2-dimethylpropyl)cyclopentyl]-dimethylsilyl]-dimethylsilane (CID 153426843) is (4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[[3-(2,2-dimethylpropyl)cyclopentyl]-dimethylsilyl]-dimethylsilane.
What is the SMILES notation for (4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[[3-(2,2-dimethylpropyl)cyclopentyl]-dimethylsilyl]-dimethylsilane?
The canonical SMILES for (4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[[3-(2,2-dimethylpropyl)cyclopentyl]-dimethylsilyl]-dimethylsilane is CC(C)(C)CC1CCC([Si](C)(C)[Si](C)(C)C2CCC3C(Br)CCCC32)C1.
What is the InChIKey of (4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[[3-(2,2-dimethylpropyl)cyclopentyl]-dimethylsilyl]-dimethylsilane?
The InChIKey is GPFBNASTROSFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45BrSi2/c1-23(2,3)16-17-11-12-18(15-17)25(4,5)26(6,7)22-14-13-19-20(22)9-8-10-21(19)24/h17-22H,8-16H2,1-7H3.
What are the key properties of (4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[[3-(2,2-dimethylpropyl)cyclopentyl]-dimethylsilyl]-dimethylsilane?
(4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[[3-(2,2-dimethylpropyl)cyclopentyl]-dimethylsilyl]-dimethylsilane has a molecular weight of 457.69 g/mol, XLogP of 8.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[[3-(2,2-dimethylpropyl)cyclopentyl]-dimethylsilyl]-dimethylsilane is sourced from PubChem (CID 153426843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).