[(3aR)-2,3,3a,4,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-5-yl]-trimethylsilane

C16H26Si — CID 13273608

IUPAC[(3aR)-2,3,3a,4,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-5-yl]-trimethylsilane
SMILESC[Si](C)(C)C1=C2CCCCC2=C2CCC[C@@H]2C1
InChIInChI=1S/C16H26Si/c1-17(2,3)16-11-12-7-6-10-13(12)14-8-4-5-9-15(14)16/h12H,4-11H2,1-3H3/t12-/m1/s1
InChIKeyAKNOCZSSJFXEOV-GFCCVEGCSA-N
MW246.47 g/mol
LogP5.23
Rot. Bonds1

About [(3aR)-2,3,3a,4,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-5-yl]-trimethylsilane

[(3aR)-2,3,3a,4,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-5-yl]-trimethylsilane (PubChem CID 13273608) has the molecular formula C16H26Si and a molecular weight of 246.47 g/mol. Its IUPAC name is [(3aR)-2,3,3a,4,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-5-yl]-trimethylsilane.

Molecular Properties

Compound Name[(3aR)-2,3,3a,4,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-5-yl]-trimethylsilane
PubChem CID13273608
Molecular FormulaC16H26Si
Molecular Weight246.47 g/mol
Exact Mass246.18
IUPAC Name[(3aR)-2,3,3a,4,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-5-yl]-trimethylsilane
SMILESC[Si](C)(C)C1=C2CCCCC2=C2CCC[C@@H]2C1
InChIInChI=1S/C16H26Si/c1-17(2,3)16-11-12-7-6-10-13(12)14-8-4-5-9-15(14)16/h12H,4-11H2,1-3H3/t12-/m1/s1
InChIKeyAKNOCZSSJFXEOV-GFCCVEGCSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.47
LogP ≤ 55.23
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 [(3aR)-2,3,3a,4,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-5-yl]-trimethylsilane?
The IUPAC name of [(3aR)-2,3,3a,4,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-5-yl]-trimethylsilane (CID 13273608) is [(3aR)-2,3,3a,4,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-5-yl]-trimethylsilane.
What is the SMILES notation for [(3aR)-2,3,3a,4,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-5-yl]-trimethylsilane?
The canonical SMILES for [(3aR)-2,3,3a,4,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-5-yl]-trimethylsilane is C[Si](C)(C)C1=C2CCCCC2=C2CCC[C@@H]2C1.
What is the InChIKey of [(3aR)-2,3,3a,4,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-5-yl]-trimethylsilane?
The InChIKey is AKNOCZSSJFXEOV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H26Si/c1-17(2,3)16-11-12-7-6-10-13(12)14-8-4-5-9-15(14)16/h12H,4-11H2,1-3H3/t12-/m1/s1.
What are the key properties of [(3aR)-2,3,3a,4,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-5-yl]-trimethylsilane?
[(3aR)-2,3,3a,4,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-5-yl]-trimethylsilane has a molecular weight of 246.47 g/mol, XLogP of 5.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR)-2,3,3a,4,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-5-yl]-trimethylsilane is sourced from PubChem (CID 13273608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).