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

C16H26Si — CID 13273605

IUPAC2,3,3a,4,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-5-yl(trimethyl)silane
SMILESC[Si](C)(C)C1=C2CCCCC2=C2CCCC2C1
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
InChIKeyAKNOCZSSJFXEOV-UHFFFAOYSA-N
MW246.47 g/mol
LogP5.23
Rot. Bonds1

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

2,3,3a,4,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-5-yl(trimethyl)silane (PubChem CID 13273605) has the molecular formula C16H26Si and a molecular weight of 246.47 g/mol. Its IUPAC name is 2,3,3a,4,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-5-yl(trimethyl)silane.

Molecular Properties

Compound Name2,3,3a,4,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-5-yl(trimethyl)silane
PubChem CID13273605
Molecular FormulaC16H26Si
Molecular Weight246.47 g/mol
Exact Mass246.18
IUPAC Name2,3,3a,4,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-5-yl(trimethyl)silane
SMILESC[Si](C)(C)C1=C2CCCCC2=C2CCCC2C1
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
InChIKeyAKNOCZSSJFXEOV-UHFFFAOYSA-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 2,3,3a,4,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-5-yl(trimethyl)silane?
The IUPAC name of 2,3,3a,4,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-5-yl(trimethyl)silane (CID 13273605) is 2,3,3a,4,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-5-yl(trimethyl)silane.
What is the SMILES notation for 2,3,3a,4,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-5-yl(trimethyl)silane?
The canonical SMILES for 2,3,3a,4,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-5-yl(trimethyl)silane is C[Si](C)(C)C1=C2CCCCC2=C2CCCC2C1.
What is the InChIKey of 2,3,3a,4,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-5-yl(trimethyl)silane?
The InChIKey is AKNOCZSSJFXEOV-UHFFFAOYSA-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.
What are the key properties of 2,3,3a,4,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-5-yl(trimethyl)silane?
2,3,3a,4,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-5-yl(trimethyl)silane 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 2,3,3a,4,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-5-yl(trimethyl)silane is sourced from PubChem (CID 13273605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).