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

C20H42O2Si2 — CID 134905450

IUPAC[(1S,3aR,6aS)-6a-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC[C@H]2CCC[C@]21O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O2Si2/c1-18(2,3)23(7,8)21-17-14-13-16-12-11-15-20(16,17)22-24(9,10)19(4,5)6/h16-17H,11-15H2,1-10H3/t16-,17+,20+/m1/s1
InChIKeyRLSAAPLNNYLSME-UWVAXJGDSA-N
MW370.73 g/mol
LogP6.73
Rot. Bonds4

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

[(1S,3aR,6aS)-6a-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 134905450) has the molecular formula C20H42O2Si2 and a molecular weight of 370.73 g/mol. Its IUPAC name is [(1S,3aR,6aS)-6a-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S,3aR,6aS)-6a-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID134905450
Molecular FormulaC20H42O2Si2
Molecular Weight370.73 g/mol
Exact Mass370.27
IUPAC Name[(1S,3aR,6aS)-6a-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC[C@H]2CCC[C@]21O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O2Si2/c1-18(2,3)23(7,8)21-17-14-13-16-12-11-15-20(16,17)22-24(9,10)19(4,5)6/h16-17H,11-15H2,1-10H3/t16-,17+,20+/m1/s1
InChIKeyRLSAAPLNNYLSME-UWVAXJGDSA-N
XLogP6.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.73
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [(1S,3aR,6aS)-6a-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1S,3aR,6aS)-6a-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl]oxy-tert-butyl-dimethylsilane (CID 134905450) is [(1S,3aR,6aS)-6a-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S,3aR,6aS)-6a-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S,3aR,6aS)-6a-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H]1CC[C@H]2CCC[C@]21O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1S,3aR,6aS)-6a-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is RLSAAPLNNYLSME-UWVAXJGDSA-N. The full InChI is InChI=1S/C20H42O2Si2/c1-18(2,3)23(7,8)21-17-14-13-16-12-11-15-20(16,17)22-24(9,10)19(4,5)6/h16-17H,11-15H2,1-10H3/t16-,17+,20+/m1/s1.
What are the key properties of [(1S,3aR,6aS)-6a-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl]oxy-tert-butyl-dimethylsilane?
[(1S,3aR,6aS)-6a-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 370.73 g/mol, XLogP of 6.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3aR,6aS)-6a-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134905450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).