[(2R,3aR,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane

C20H42O2Si2 — CID 134905694

IUPAC[(2R,3aR,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CC[C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]12
InChIInChI=1S/C20H42O2Si2/c1-19(2,3)23(7,8)21-16-13-15-11-12-18(17(15)14-16)22-24(9,10)20(4,5)6/h15-18H,11-14H2,1-10H3/t15-,16+,17+,18?/m0/s1
InChIKeyOOHFRKIXWGNZGP-LNAREIQUSA-N
MW370.73 g/mol
LogP6.59
Rot. Bonds4

About [(2R,3aR,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane

[(2R,3aR,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 134905694) has the molecular formula C20H42O2Si2 and a molecular weight of 370.73 g/mol. Its IUPAC name is [(2R,3aR,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3aR,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane
PubChem CID134905694
Molecular FormulaC20H42O2Si2
Molecular Weight370.73 g/mol
Exact Mass370.27
IUPAC Name[(2R,3aR,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CC[C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]12
InChIInChI=1S/C20H42O2Si2/c1-19(2,3)23(7,8)21-16-13-15-11-12-18(17(15)14-16)22-24(9,10)20(4,5)6/h15-18H,11-14H2,1-10H3/t15-,16+,17+,18?/m0/s1
InChIKeyOOHFRKIXWGNZGP-LNAREIQUSA-N
XLogP6.59
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 ≤ 56.59
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 [(2R,3aR,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3aR,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane (CID 134905694) is [(2R,3aR,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3aR,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3aR,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC1CC[C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]12.
What is the InChIKey of [(2R,3aR,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is OOHFRKIXWGNZGP-LNAREIQUSA-N. The full InChI is InChI=1S/C20H42O2Si2/c1-19(2,3)23(7,8)21-16-13-15-11-12-18(17(15)14-16)22-24(9,10)20(4,5)6/h15-18H,11-14H2,1-10H3/t15-,16+,17+,18?/m0/s1.
What are the key properties of [(2R,3aR,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane?
[(2R,3aR,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 370.73 g/mol, XLogP of 6.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3aR,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134905694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).