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

C25H42Si — CID 140886613

IUPAC2,3,3a,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
SMILESCC1CC2CC(C(C)(C)C)CCC2C1[Si](C)(C)C1CCC2C=CC=CC21
InChIInChI=1S/C25H42Si/c1-17-15-19-16-20(25(2,3)4)12-13-22(19)24(17)26(5,6)23-14-11-18-9-7-8-10-21(18)23/h7-10,17-24H,11-16H2,1-6H3
InChIKeyOTAQZWDNPWHREW-UHFFFAOYSA-N
MW370.70 g/mol
LogP7.71
Rot. Bonds2

About 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

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 (PubChem CID 140886613) has the molecular formula C25H42Si and a molecular weight of 370.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,3,3a,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
PubChem CID140886613
Molecular FormulaC25H42Si
Molecular Weight370.70 g/mol
Exact Mass370.31
IUPAC Name2,3,3a,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
SMILESCC1CC2CC(C(C)(C)C)CCC2C1[Si](C)(C)C1CCC2C=CC=CC21
InChIInChI=1S/C25H42Si/c1-17-15-19-16-20(25(2,3)4)12-13-22(19)24(17)26(5,6)23-14-11-18-9-7-8-10-21(18)23/h7-10,17-24H,11-16H2,1-6H3
InChIKeyOTAQZWDNPWHREW-UHFFFAOYSA-N
XLogP7.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.70
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CC2CC(C(C)(C)C)CCC2C1[Si](C)(C)C1CCC2C=CC=CC21.
What is the InChIKey of 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?
The InChIKey is OTAQZWDNPWHREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42Si/c1-17-15-19-16-20(25(2,3)4)12-13-22(19)24(17)26(5,6)23-14-11-18-9-7-8-10-21(18)23/h7-10,17-24H,11-16H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 370.70 g/mol, XLogP of 7.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 140886613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).