[(3aS,6aR)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane

C15H28OSi — CID 102445292

IUPAC[(3aS,6aR)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C1C[C@@H]2CC(O[Si](C)(C)C(C)(C)C)C[C@@H]2C1
InChIInChI=1S/C15H28OSi/c1-11-7-12-9-14(10-13(12)8-11)16-17(5,6)15(2,3)4/h12-14H,1,7-10H2,2-6H3/t12-,13+,14?
InChIKeyGSYGFAYGFSXLOW-PBWFPOADSA-N
MW252.47 g/mol
LogP4.75
Rot. Bonds2

About [(3aS,6aR)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane

[(3aS,6aR)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 102445292) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is [(3aS,6aR)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aS,6aR)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane
PubChem CID102445292
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name[(3aS,6aR)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C1C[C@@H]2CC(O[Si](C)(C)C(C)(C)C)C[C@@H]2C1
InChIInChI=1S/C15H28OSi/c1-11-7-12-9-14(10-13(12)8-11)16-17(5,6)15(2,3)4/h12-14H,1,7-10H2,2-6H3/t12-,13+,14?
InChIKeyGSYGFAYGFSXLOW-PBWFPOADSA-N
XLogP4.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3aS,6aR)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aS,6aR)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane (CID 102445292) is [(3aS,6aR)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aS,6aR)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aS,6aR)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane is C=C1C[C@@H]2CC(O[Si](C)(C)C(C)(C)C)C[C@@H]2C1.
What is the InChIKey of [(3aS,6aR)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is GSYGFAYGFSXLOW-PBWFPOADSA-N. The full InChI is InChI=1S/C15H28OSi/c1-11-7-12-9-14(10-13(12)8-11)16-17(5,6)15(2,3)4/h12-14H,1,7-10H2,2-6H3/t12-,13+,14?.
What are the key properties of [(3aS,6aR)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane?
[(3aS,6aR)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 252.47 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aR)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 102445292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).