[(3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl-trimethylsilane

C12H24Si — CID 15041496

IUPAC[(3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl-trimethylsilane
SMILESC[Si](C)(C)CC1C[C@H]2CCC[C@@H]2C1
InChIInChI=1S/C12H24Si/c1-13(2,3)9-10-7-11-5-4-6-12(11)8-10/h10-12H,4-9H2,1-3H3/t11-,12-/m1/s1
InChIKeyVLUNQBGBAOWJEF-VXGBXAGGSA-N
MW196.41 g/mol
LogP4.15
Rot. Bonds2

About [(3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl-trimethylsilane

[(3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl-trimethylsilane (PubChem CID 15041496) has the molecular formula C12H24Si and a molecular weight of 196.41 g/mol. Its IUPAC name is [(3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl-trimethylsilane.

Molecular Properties

Compound Name[(3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl-trimethylsilane
PubChem CID15041496
Molecular FormulaC12H24Si
Molecular Weight196.41 g/mol
Exact Mass196.16
IUPAC Name[(3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl-trimethylsilane
SMILESC[Si](C)(C)CC1C[C@H]2CCC[C@@H]2C1
InChIInChI=1S/C12H24Si/c1-13(2,3)9-10-7-11-5-4-6-12(11)8-10/h10-12H,4-9H2,1-3H3/t11-,12-/m1/s1
InChIKeyVLUNQBGBAOWJEF-VXGBXAGGSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.41
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl-trimethylsilane with MolForge

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Related Compounds

Octahydro-1-methylpentalene
CID 36099
Octahydro-2-methylpentalene
CID 557010
2,5-Dimethyloctahydropentalene
CID 557191
(3aR,6aR)-2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 12701549
1,4-Dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 21676137
(3aR,6aR)-2-(deuteriomethyl)-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 12701550
[(3R,3aS,6aS)-3-methyl-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-trimethylsilane
CID 134979095
Trimethyl-(3-methyl-2-propan-2-ylcyclopentyl)silane
CID 135036896
(1R,3aR,6aS)-1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 12702719
(3aR,6aS)-2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 12701548
1-Propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 20597826
1,3,4,6-Tetramethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 21301826

Frequently Asked Questions

What is the IUPAC name of [(3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl-trimethylsilane?
The IUPAC name of [(3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl-trimethylsilane (CID 15041496) is [(3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl-trimethylsilane.
What is the SMILES notation for [(3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl-trimethylsilane?
The canonical SMILES for [(3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl-trimethylsilane is C[Si](C)(C)CC1C[C@H]2CCC[C@@H]2C1.
What is the InChIKey of [(3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl-trimethylsilane?
The InChIKey is VLUNQBGBAOWJEF-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H24Si/c1-13(2,3)9-10-7-11-5-4-6-12(11)8-10/h10-12H,4-9H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of [(3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl-trimethylsilane?
[(3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl-trimethylsilane has a molecular weight of 196.41 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl-trimethylsilane is sourced from PubChem (CID 15041496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).