(5-bromo-2-methyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl)-(1H-inden-2-yl)-dimethylsilane

C25H35BrSi — CID 91027915

IUPAC(5-bromo-2-methyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl)-(1H-inden-2-yl)-dimethylsilane
SMILESCC1CC2C3CCCCC3C(Br)CC2C1[Si](C)(C)C1=Cc2ccccc2C1
InChIInChI=1S/C25H35BrSi/c1-16-12-22-20-10-6-7-11-21(20)24(26)15-23(22)25(16)27(2,3)19-13-17-8-4-5-9-18(17)14-19/h4-5,8-9,13,16,20-25H,6-7,10-12,14-15H2,1-3H3
InChIKeyZSMSFNZELBNHNC-UHFFFAOYSA-N
MW443.55 g/mol
LogP7.49
Rot. Bonds2

About (5-bromo-2-methyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl)-(1H-inden-2-yl)-dimethylsilane

(5-bromo-2-methyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl)-(1H-inden-2-yl)-dimethylsilane (PubChem CID 91027915) has the molecular formula C25H35BrSi and a molecular weight of 443.55 g/mol. Its IUPAC name is (5-bromo-2-methyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl)-(1H-inden-2-yl)-dimethylsilane.

Molecular Properties

Compound Name(5-bromo-2-methyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl)-(1H-inden-2-yl)-dimethylsilane
PubChem CID91027915
Molecular FormulaC25H35BrSi
Molecular Weight443.55 g/mol
Exact Mass442.17
IUPAC Name(5-bromo-2-methyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl)-(1H-inden-2-yl)-dimethylsilane
SMILESCC1CC2C3CCCCC3C(Br)CC2C1[Si](C)(C)C1=Cc2ccccc2C1
InChIInChI=1S/C25H35BrSi/c1-16-12-22-20-10-6-7-11-21(20)24(26)15-23(22)25(16)27(2,3)19-13-17-8-4-5-9-18(17)14-19/h4-5,8-9,13,16,20-25H,6-7,10-12,14-15H2,1-3H3
InChIKeyZSMSFNZELBNHNC-UHFFFAOYSA-N
XLogP7.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 57.49
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 (5-bromo-2-methyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl)-(1H-inden-2-yl)-dimethylsilane with MolForge

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Related Compounds

4-bromo-1-[2-(1H-inden-2-yl)propan-2-yl]-2-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene
CID 91135897
2-bromo-1H-indene;chloro-(1H-inden-2-yl)-dimethylsilane
CID 159756975
5-bromo-3-[2-(4-bromo-2-methyl-1H-inden-1-yl)ethyl]-2-methyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene
CID 91246935
(4-bromo-2-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[b]naphthalen-1-yl)-(1H-inden-2-yl)-dimethylsilane
CID 87245819
dimethyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane
CID 91269102
(2,4-dimethyl-4H-cyclopenta[b]naphthalen-1-yl)-(1H-inden-2-yl)-dimethylsilane
CID 67039953
[4-[5-[1-[dimethyl-[2-methyl-4-(2-phenylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silyl]-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]pentyl]-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-[2-methyl-4-(2-phenylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane
CID 166038593
6-bromo-3-[2-(1H-inden-2-yl)ethyl]-2,9-dimethyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene
CID 90874864
4-methyl-1,2,3,4,4a,10-hexahydroanthracene
CID 150384285
(2R)-1-(1H-inden-2-yl)-2-methylpyrrolidine
CID 134854074
2-methylselanyl-1H-indene
CID 11041997
1-(1H-inden-2-yl)pyrrolidin-1-ium
CID 7236163

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl)-(1H-inden-2-yl)-dimethylsilane?
The IUPAC name of (5-bromo-2-methyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl)-(1H-inden-2-yl)-dimethylsilane (CID 91027915) is (5-bromo-2-methyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl)-(1H-inden-2-yl)-dimethylsilane.
What is the SMILES notation for (5-bromo-2-methyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl)-(1H-inden-2-yl)-dimethylsilane?
The canonical SMILES for (5-bromo-2-methyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl)-(1H-inden-2-yl)-dimethylsilane is CC1CC2C3CCCCC3C(Br)CC2C1[Si](C)(C)C1=Cc2ccccc2C1.
What is the InChIKey of (5-bromo-2-methyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl)-(1H-inden-2-yl)-dimethylsilane?
The InChIKey is ZSMSFNZELBNHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35BrSi/c1-16-12-22-20-10-6-7-11-21(20)24(26)15-23(22)25(16)27(2,3)19-13-17-8-4-5-9-18(17)14-19/h4-5,8-9,13,16,20-25H,6-7,10-12,14-15H2,1-3H3.
What are the key properties of (5-bromo-2-methyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl)-(1H-inden-2-yl)-dimethylsilane?
(5-bromo-2-methyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl)-(1H-inden-2-yl)-dimethylsilane has a molecular weight of 443.55 g/mol, XLogP of 7.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl)-(1H-inden-2-yl)-dimethylsilane is sourced from PubChem (CID 91027915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).