2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(5-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane

C27H48Si — CID 140886651

IUPAC2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(5-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
SMILESCC1CC2CC(C3CCCCC3)CCC2C1[Si](C)(C)C1CCC2CCCCC21
InChIInChI=1S/C27H48Si/c1-19-17-23-18-22(20-9-5-4-6-10-20)13-15-25(23)27(19)28(2,3)26-16-14-21-11-7-8-12-24(21)26/h19-27H,4-18H2,1-3H3
InChIKeyJYEXEITZIFMPHV-UHFFFAOYSA-N
MW400.77 g/mol
LogP8.69
Rot. Bonds3

About 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(5-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane

2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(5-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane (PubChem CID 140886651) has the molecular formula C27H48Si and a molecular weight of 400.77 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(5-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(5-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
PubChem CID140886651
Molecular FormulaC27H48Si
Molecular Weight400.77 g/mol
Exact Mass400.35
IUPAC Name2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(5-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
SMILESCC1CC2CC(C3CCCCC3)CCC2C1[Si](C)(C)C1CCC2CCCCC21
InChIInChI=1S/C27H48Si/c1-19-17-23-18-22(20-9-5-4-6-10-20)13-15-25(23)27(19)28(2,3)26-16-14-21-11-7-8-12-24(21)26/h19-27H,4-18H2,1-3H3
InChIKeyJYEXEITZIFMPHV-UHFFFAOYSA-N
XLogP8.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.77
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(5-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane with MolForge

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Related Compounds

(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
tetracyclo[9.7.0.03,8.012,16]octadecane
CID 140868120
bis(2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)
CID 162297844
4-methyl-1,2,2a,3,4,4a,5,6,7,8,8a,8b-dodecahydrocyclobuta[a]naphthalene
CID 163896110
2,3,3a,7a-tetrahydro-1H-inden-1-yl-(5-tert-butyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
CID 140886613
(2-methylcyclopropyl)cyclooctane
CID 19768877
N-[2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl(dimethyl)silyl]-N-tert-butyl-2-methylpropan-2-amine
CID 162279509
(1R)-1-cyclobutyl-4-(2-methylcyclohexyl)cycloheptane
CID 163683133
1-(3-cyclooctylcyclopentyl)-5-methylcyclooctane
CID 162472459
6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane
CID 162228402
(1R,3aS,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 12701541
2-methylbicyclo[5.2.0]nonane
CID 90842882

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(5-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(5-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane (CID 140886651) is 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(5-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(5-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(5-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane is CC1CC2CC(C3CCCCC3)CCC2C1[Si](C)(C)C1CCC2CCCCC21.
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(5-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane?
The InChIKey is JYEXEITZIFMPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48Si/c1-19-17-23-18-22(20-9-5-4-6-10-20)13-15-25(23)27(19)28(2,3)26-16-14-21-11-7-8-12-24(21)26/h19-27H,4-18H2,1-3H3.
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(5-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane?
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(5-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane has a molecular weight of 400.77 g/mol, XLogP of 8.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(5-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane is sourced from PubChem (CID 140886651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).