[(3R,3aS,6aS)-3-methyl-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-trimethylsilane

C12H24Si — CID 134979095

IUPAC[(3R,3aS,6aS)-3-methyl-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-trimethylsilane
SMILESC[C@@H]1CC[C@@H]2CCC[C@@]21[Si](C)(C)C
InChIInChI=1S/C12H24Si/c1-10-7-8-11-6-5-9-12(10,11)13(2,3)4/h10-11H,5-9H2,1-4H3/t10-,11+,12+/m1/s1
InChIKeyIXAZLOBERYCREQ-WOPDTQHZSA-N
MW196.41 g/mol
LogP4.30
Rot. Bonds1

About [(3R,3aS,6aS)-3-methyl-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-trimethylsilane

[(3R,3aS,6aS)-3-methyl-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-trimethylsilane (PubChem CID 134979095) has the molecular formula C12H24Si and a molecular weight of 196.41 g/mol. Its IUPAC name is [(3R,3aS,6aS)-3-methyl-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-trimethylsilane.

Molecular Properties

Compound Name[(3R,3aS,6aS)-3-methyl-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-trimethylsilane
PubChem CID134979095
Molecular FormulaC12H24Si
Molecular Weight196.41 g/mol
Exact Mass196.16
IUPAC Name[(3R,3aS,6aS)-3-methyl-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-trimethylsilane
SMILESC[C@@H]1CC[C@@H]2CCC[C@@]21[Si](C)(C)C
InChIInChI=1S/C12H24Si/c1-10-7-8-11-6-5-9-12(10,11)13(2,3)4/h10-11H,5-9H2,1-4H3/t10-,11+,12+/m1/s1
InChIKeyIXAZLOBERYCREQ-WOPDTQHZSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.41
LogP ≤ 54.30
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 [(3R,3aS,6aS)-3-methyl-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-trimethylsilane?
The IUPAC name of [(3R,3aS,6aS)-3-methyl-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-trimethylsilane (CID 134979095) is [(3R,3aS,6aS)-3-methyl-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-trimethylsilane.
What is the SMILES notation for [(3R,3aS,6aS)-3-methyl-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-trimethylsilane?
The canonical SMILES for [(3R,3aS,6aS)-3-methyl-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-trimethylsilane is C[C@@H]1CC[C@@H]2CCC[C@@]21[Si](C)(C)C.
What is the InChIKey of [(3R,3aS,6aS)-3-methyl-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-trimethylsilane?
The InChIKey is IXAZLOBERYCREQ-WOPDTQHZSA-N. The full InChI is InChI=1S/C12H24Si/c1-10-7-8-11-6-5-9-12(10,11)13(2,3)4/h10-11H,5-9H2,1-4H3/t10-,11+,12+/m1/s1.
What are the key properties of [(3R,3aS,6aS)-3-methyl-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-trimethylsilane?
[(3R,3aS,6aS)-3-methyl-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-trimethylsilane has a molecular weight of 196.41 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,3aS,6aS)-3-methyl-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-trimethylsilane is sourced from PubChem (CID 134979095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).