cyclopentyl-[dimethyl-(4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane

C28H42Si2 — CID 162267524

IUPACcyclopentyl-[dimethyl-(4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane
SMILESC[Si](C)(C1CCCC1)[Si](C)(C)C1CCC2C(c3cccc4ccccc34)CCCC21
InChIInChI=1S/C28H42Si2/c1-29(2,22-13-6-7-14-22)30(3,4)28-20-19-26-25(17-10-18-27(26)28)24-16-9-12-21-11-5-8-15-23(21)24/h5,8-9,11-12,15-16,22,25-28H,6-7,10,13-14,17-20H2,1-4H3
InChIKeyNCNDLBSBXXKAIW-UHFFFAOYSA-N
MW434.82 g/mol
LogP8.94
Rot. Bonds4

About cyclopentyl-[dimethyl-(4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane

cyclopentyl-[dimethyl-(4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane (PubChem CID 162267524) has the molecular formula C28H42Si2 and a molecular weight of 434.82 g/mol. Its IUPAC name is cyclopentyl-[dimethyl-(4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane.

Molecular Properties

Compound Namecyclopentyl-[dimethyl-(4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane
PubChem CID162267524
Molecular FormulaC28H42Si2
Molecular Weight434.82 g/mol
Exact Mass434.28
IUPAC Namecyclopentyl-[dimethyl-(4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane
SMILESC[Si](C)(C1CCCC1)[Si](C)(C)C1CCC2C(c3cccc4ccccc34)CCCC21
InChIInChI=1S/C28H42Si2/c1-29(2,22-13-6-7-14-22)30(3,4)28-20-19-26-25(17-10-18-27(26)28)24-16-9-12-21-11-5-8-15-23(21)24/h5,8-9,11-12,15-16,22,25-28H,6-7,10,13-14,17-20H2,1-4H3
InChIKeyNCNDLBSBXXKAIW-UHFFFAOYSA-N
XLogP8.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.82
LogP ≤ 58.94
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 cyclopentyl-[dimethyl-(4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane?
The IUPAC name of cyclopentyl-[dimethyl-(4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane (CID 162267524) is cyclopentyl-[dimethyl-(4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane.
What is the SMILES notation for cyclopentyl-[dimethyl-(4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane?
The canonical SMILES for cyclopentyl-[dimethyl-(4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane is C[Si](C)(C1CCCC1)[Si](C)(C)C1CCC2C(c3cccc4ccccc34)CCCC21.
What is the InChIKey of cyclopentyl-[dimethyl-(4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane?
The InChIKey is NCNDLBSBXXKAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42Si2/c1-29(2,22-13-6-7-14-22)30(3,4)28-20-19-26-25(17-10-18-27(26)28)24-16-9-12-21-11-5-8-15-23(21)24/h5,8-9,11-12,15-16,22,25-28H,6-7,10,13-14,17-20H2,1-4H3.
What are the key properties of cyclopentyl-[dimethyl-(4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane?
cyclopentyl-[dimethyl-(4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane has a molecular weight of 434.82 g/mol, XLogP of 8.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[dimethyl-(4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane is sourced from PubChem (CID 162267524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).