[(3aS)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-(3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl)-(2-cyclopentylethyl)-methylsilane

C26H42Si — CID 59957883

IUPAC[(3aS)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-(3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl)-(2-cyclopentylethyl)-methylsilane
SMILESC[Si](CCC1CCCC1)(C1C=CC2CCCCC21)C1C=C[C@@H]2CCCCC12
InChIInChI=1S/C26H42Si/c1-27(19-18-20-8-2-3-9-20,25-16-14-21-10-4-6-12-23(21)25)26-17-15-22-11-5-7-13-24(22)26/h14-17,20-26H,2-13,18-19H2,1H3/t21-,22?,23?,24?,25?,26?,27?/m0/s1
InChIKeyOYLOHBCNIFSGRX-CANLUVOMSA-N
MW382.71 g/mol
LogP8.14
Rot. Bonds5

About [(3aS)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-(3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl)-(2-cyclopentylethyl)-methylsilane

[(3aS)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-(3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl)-(2-cyclopentylethyl)-methylsilane (PubChem CID 59957883) has the molecular formula C26H42Si and a molecular weight of 382.71 g/mol. Its IUPAC name is [(3aS)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-(3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl)-(2-cyclopentylethyl)-methylsilane.

Molecular Properties

Compound Name[(3aS)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-(3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl)-(2-cyclopentylethyl)-methylsilane
PubChem CID59957883
Molecular FormulaC26H42Si
Molecular Weight382.71 g/mol
Exact Mass382.31
IUPAC Name[(3aS)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-(3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl)-(2-cyclopentylethyl)-methylsilane
SMILESC[Si](CCC1CCCC1)(C1C=CC2CCCCC21)C1C=C[C@@H]2CCCCC12
InChIInChI=1S/C26H42Si/c1-27(19-18-20-8-2-3-9-20,25-16-14-21-10-4-6-12-23(21)25)26-17-15-22-11-5-7-13-24(22)26/h14-17,20-26H,2-13,18-19H2,1H3/t21-,22?,23?,24?,25?,26?,27?/m0/s1
InChIKeyOYLOHBCNIFSGRX-CANLUVOMSA-N
XLogP8.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.71
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(3aS)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-(3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl)-(2-cyclopentylethyl)-methylsilane with MolForge

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Related Compounds

[(3aS,7aS)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-trimethylsilane
CID 135010183
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-(4,5,6,7-tetrahydro-2H-inden-1-yl)silane
CID 20760650
dimethyl-bis(2-methyl-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl)silane
CID 54417051
[(1S)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-cyclohexyl-octylsilane
CID 58219601
2,3,3a,7a-tetrahydro-1H-inden-1-yl-cyclohexyl-cyclopentyl-nonylsilane
CID 58773328
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane
CID 59069909
bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-octylsilane
CID 59123722
2,3,3a,6,7,7a-hexahydro-1H-inden-1-yl-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
CID 59843722
bis(3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl)-(2-cyclopentylethyl)-methylsilane
CID 59957882
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-[(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
CID 91405780
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-ylmethyl-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane
CID 91477828
[(1R)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-cyclohexyl-octylsilane
CID 91865122

Frequently Asked Questions

What is the IUPAC name of [(3aS)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-(3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl)-(2-cyclopentylethyl)-methylsilane?
The IUPAC name of [(3aS)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-(3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl)-(2-cyclopentylethyl)-methylsilane (CID 59957883) is [(3aS)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-(3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl)-(2-cyclopentylethyl)-methylsilane.
What is the SMILES notation for [(3aS)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-(3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl)-(2-cyclopentylethyl)-methylsilane?
The canonical SMILES for [(3aS)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-(3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl)-(2-cyclopentylethyl)-methylsilane is C[Si](CCC1CCCC1)(C1C=CC2CCCCC21)C1C=C[C@@H]2CCCCC12.
What is the InChIKey of [(3aS)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-(3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl)-(2-cyclopentylethyl)-methylsilane?
The InChIKey is OYLOHBCNIFSGRX-CANLUVOMSA-N. The full InChI is InChI=1S/C26H42Si/c1-27(19-18-20-8-2-3-9-20,25-16-14-21-10-4-6-12-23(21)25)26-17-15-22-11-5-7-13-24(22)26/h14-17,20-26H,2-13,18-19H2,1H3/t21-,22?,23?,24?,25?,26?,27?/m0/s1.
What are the key properties of [(3aS)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-(3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl)-(2-cyclopentylethyl)-methylsilane?
[(3aS)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-(3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl)-(2-cyclopentylethyl)-methylsilane has a molecular weight of 382.71 g/mol, XLogP of 8.14, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-(3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl)-(2-cyclopentylethyl)-methylsilane is sourced from PubChem (CID 59957883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).