2'-tert-butyl-2,2,3',3',4a,5',6-heptamethylspiro[5,8a-dihydro-4H-pyrano[3,2-e]oxasiline-3,4'-diazasilole]

C19H36N2O2Si2 — CID 5260011

IUPAC2'-tert-butyl-2,2,3',3',4a,5',6-heptamethylspiro[5,8a-dihydro-4H-pyrano[3,2-e]oxasiline-3,4'-diazasilole]
SMILESCC1=COC2O[Si](C)(C)C3(CC2(C)C1)C(C)=NN(C(C)(C)C)[Si]3(C)C
InChIInChI=1S/C19H36N2O2Si2/c1-14-11-18(6)13-19(25(9,10)23-16(18)22-12-14)15(2)20-21(17(3,4)5)24(19,7)8/h12,16H,11,13H2,1-10H3
InChIKeyXOWRXQYNOUJBAO-UHFFFAOYSA-N
MW380.68 g/mol
LogP5.24
Rot. Bonds

About 2'-tert-butyl-2,2,3',3',4a,5',6-heptamethylspiro[5,8a-dihydro-4H-pyrano[3,2-e]oxasiline-3,4'-diazasilole]

2'-tert-butyl-2,2,3',3',4a,5',6-heptamethylspiro[5,8a-dihydro-4H-pyrano[3,2-e]oxasiline-3,4'-diazasilole] (PubChem CID 5260011) has the molecular formula C19H36N2O2Si2 and a molecular weight of 380.68 g/mol. Its IUPAC name is 2'-tert-butyl-2,2,3',3',4a,5',6-heptamethylspiro[5,8a-dihydro-4H-pyrano[3,2-e]oxasiline-3,4'-diazasilole].

Molecular Properties

Compound Name2'-tert-butyl-2,2,3',3',4a,5',6-heptamethylspiro[5,8a-dihydro-4H-pyrano[3,2-e]oxasiline-3,4'-diazasilole]
PubChem CID5260011
Molecular FormulaC19H36N2O2Si2
Molecular Weight380.68 g/mol
Exact Mass380.23
IUPAC Name2'-tert-butyl-2,2,3',3',4a,5',6-heptamethylspiro[5,8a-dihydro-4H-pyrano[3,2-e]oxasiline-3,4'-diazasilole]
SMILESCC1=COC2O[Si](C)(C)C3(CC2(C)C1)C(C)=NN(C(C)(C)C)[Si]3(C)C
InChIInChI=1S/C19H36N2O2Si2/c1-14-11-18(6)13-19(25(9,10)23-16(18)22-12-14)15(2)20-21(17(3,4)5)24(19,7)8/h12,16H,11,13H2,1-10H3
InChIKeyXOWRXQYNOUJBAO-UHFFFAOYSA-N
XLogP5.24
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.68
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2'-tert-butyl-2,2,3',3',4a,5',6-heptamethylspiro[5,8a-dihydro-4H-pyrano[3,2-e]oxasiline-3,4'-diazasilole] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2'-tert-butyl-2,2,3',3',4a,5',6-heptamethylspiro[5,8a-dihydro-4H-pyrano[3,2-e]oxasiline-3,4'-diazasilole]?
The IUPAC name of 2'-tert-butyl-2,2,3',3',4a,5',6-heptamethylspiro[5,8a-dihydro-4H-pyrano[3,2-e]oxasiline-3,4'-diazasilole] (CID 5260011) is 2'-tert-butyl-2,2,3',3',4a,5',6-heptamethylspiro[5,8a-dihydro-4H-pyrano[3,2-e]oxasiline-3,4'-diazasilole].
What is the SMILES notation for 2'-tert-butyl-2,2,3',3',4a,5',6-heptamethylspiro[5,8a-dihydro-4H-pyrano[3,2-e]oxasiline-3,4'-diazasilole]?
The canonical SMILES for 2'-tert-butyl-2,2,3',3',4a,5',6-heptamethylspiro[5,8a-dihydro-4H-pyrano[3,2-e]oxasiline-3,4'-diazasilole] is CC1=COC2O[Si](C)(C)C3(CC2(C)C1)C(C)=NN(C(C)(C)C)[Si]3(C)C.
What is the InChIKey of 2'-tert-butyl-2,2,3',3',4a,5',6-heptamethylspiro[5,8a-dihydro-4H-pyrano[3,2-e]oxasiline-3,4'-diazasilole]?
The InChIKey is XOWRXQYNOUJBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2Si2/c1-14-11-18(6)13-19(25(9,10)23-16(18)22-12-14)15(2)20-21(17(3,4)5)24(19,7)8/h12,16H,11,13H2,1-10H3.
What are the key properties of 2'-tert-butyl-2,2,3',3',4a,5',6-heptamethylspiro[5,8a-dihydro-4H-pyrano[3,2-e]oxasiline-3,4'-diazasilole]?
2'-tert-butyl-2,2,3',3',4a,5',6-heptamethylspiro[5,8a-dihydro-4H-pyrano[3,2-e]oxasiline-3,4'-diazasilole] has a molecular weight of 380.68 g/mol, XLogP of 5.24, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-tert-butyl-2,2,3',3',4a,5',6-heptamethylspiro[5,8a-dihydro-4H-pyrano[3,2-e]oxasiline-3,4'-diazasilole] is sourced from PubChem (CID 5260011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).