[(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

C32H54Si — CID 58219601

IUPAC[(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
SMILESCCCCCCCC[Si@@](C1CCCCC1)([C@H]1CCC2C=CC=CC21)[C@H]1CCC2CCCCC21
InChIInChI=1S/C32H54Si/c1-2-3-4-5-6-14-25-33(28-17-8-7-9-18-28,31-23-21-26-15-10-12-19-29(26)31)32-24-22-27-16-11-13-20-30(27)32/h10,12,15,19,26-32H,2-9,11,13-14,16-18,20-25H2,1H3/t26?,27?,29?,30?,31-,32-,33+/m0/s1
InChIKeyBWJOSDTXOTVHOK-ZCGLWFJQSA-N
MW466.87 g/mol
LogP10.62
Rot. Bonds10

About [(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

[(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 (PubChem CID 58219601) has the molecular formula C32H54Si and a molecular weight of 466.87 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID58219601
Molecular FormulaC32H54Si
Molecular Weight466.87 g/mol
Exact Mass466.40
IUPAC Name[(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
SMILESCCCCCCCC[Si@@](C1CCCCC1)([C@H]1CCC2C=CC=CC21)[C@H]1CCC2CCCCC21
InChIInChI=1S/C32H54Si/c1-2-3-4-5-6-14-25-33(28-17-8-7-9-18-28,31-23-21-26-15-10-12-19-29(26)31)32-24-22-27-16-11-13-20-30(27)32/h10,12,15,19,26-32H,2-9,11,13-14,16-18,20-25H2,1H3/t26?,27?,29?,30?,31-,32-,33+/m0/s1
InChIKeyBWJOSDTXOTVHOK-ZCGLWFJQSA-N
XLogP10.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.87
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CCCCCCCC[Si@@](C1CCCCC1)([C@H]1CCC2C=CC=CC21)[C@H]1CCC2CCCCC21.
What is the InChIKey of [(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?
The InChIKey is BWJOSDTXOTVHOK-ZCGLWFJQSA-N. The full InChI is InChI=1S/C32H54Si/c1-2-3-4-5-6-14-25-33(28-17-8-7-9-18-28,31-23-21-26-15-10-12-19-29(26)31)32-24-22-27-16-11-13-20-30(27)32/h10,12,15,19,26-32H,2-9,11,13-14,16-18,20-25H2,1H3/t26?,27?,29?,30?,31-,32-,33+/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 466.87 g/mol, XLogP of 10.62, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 58219601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).