4,6,11,11,13,13,18,20-octamethyl-2,12,22-trioxa-10,14-diaza-11,13-disilapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3,5,7,16,18,20-hexaene

C23H32N2O3Si2 — CID 21135410

IUPAC4,6,11,11,13,13,18,20-octamethyl-2,12,22-trioxa-10,14-diaza-11,13-disilapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3,5,7,16,18,20-hexaene
SMILESCc1cc(C)c2c(c1)CN1C3(O2)Oc2c(C)cc(C)cc2CN3[Si](C)(C)O[Si]1(C)C
InChIInChI=1S/C23H32N2O3Si2/c1-15-9-17(3)21-19(11-15)13-24-23(26-21)25(30(7,8)28-29(24,5)6)14-20-12-16(2)10-18(4)22(20)27-23/h9-12H,13-14H2,1-8H3
InChIKeyMFBHTEHNQUDOQC-UHFFFAOYSA-N
MW440.69 g/mol
LogP5.05
Rot. Bonds

About 4,6,11,11,13,13,18,20-octamethyl-2,12,22-trioxa-10,14-diaza-11,13-disilapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3,5,7,16,18,20-hexaene

4,6,11,11,13,13,18,20-octamethyl-2,12,22-trioxa-10,14-diaza-11,13-disilapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3,5,7,16,18,20-hexaene (PubChem CID 21135410) has the molecular formula C23H32N2O3Si2 and a molecular weight of 440.69 g/mol. Its IUPAC name is 4,6,11,11,13,13,18,20-octamethyl-2,12,22-trioxa-10,14-diaza-11,13-disilapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3,5,7,16,18,20-hexaene.

Molecular Properties

Compound Name4,6,11,11,13,13,18,20-octamethyl-2,12,22-trioxa-10,14-diaza-11,13-disilapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3,5,7,16,18,20-hexaene
PubChem CID21135410
Molecular FormulaC23H32N2O3Si2
Molecular Weight440.69 g/mol
Exact Mass440.20
IUPAC Name4,6,11,11,13,13,18,20-octamethyl-2,12,22-trioxa-10,14-diaza-11,13-disilapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3,5,7,16,18,20-hexaene
SMILESCc1cc(C)c2c(c1)CN1C3(O2)Oc2c(C)cc(C)cc2CN3[Si](C)(C)O[Si]1(C)C
InChIInChI=1S/C23H32N2O3Si2/c1-15-9-17(3)21-19(11-15)13-24-23(26-21)25(30(7,8)28-29(24,5)6)14-20-12-16(2)10-18(4)22(20)27-23/h9-12H,13-14H2,1-8H3
InChIKeyMFBHTEHNQUDOQC-UHFFFAOYSA-N
XLogP5.05
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.69
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4,6,11,11,13,13,18,20-octamethyl-2,12,22-trioxa-10,14-diaza-11,13-disilapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3,5,7,16,18,20-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,6,11,11,13,13,18,20-octamethyl-2,12,22-trioxa-10,14-diaza-11,13-disilapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3,5,7,16,18,20-hexaene?
The IUPAC name of 4,6,11,11,13,13,18,20-octamethyl-2,12,22-trioxa-10,14-diaza-11,13-disilapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3,5,7,16,18,20-hexaene (CID 21135410) is 4,6,11,11,13,13,18,20-octamethyl-2,12,22-trioxa-10,14-diaza-11,13-disilapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3,5,7,16,18,20-hexaene.
What is the SMILES notation for 4,6,11,11,13,13,18,20-octamethyl-2,12,22-trioxa-10,14-diaza-11,13-disilapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3,5,7,16,18,20-hexaene?
The canonical SMILES for 4,6,11,11,13,13,18,20-octamethyl-2,12,22-trioxa-10,14-diaza-11,13-disilapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3,5,7,16,18,20-hexaene is Cc1cc(C)c2c(c1)CN1C3(O2)Oc2c(C)cc(C)cc2CN3[Si](C)(C)O[Si]1(C)C.
What is the InChIKey of 4,6,11,11,13,13,18,20-octamethyl-2,12,22-trioxa-10,14-diaza-11,13-disilapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3,5,7,16,18,20-hexaene?
The InChIKey is MFBHTEHNQUDOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3Si2/c1-15-9-17(3)21-19(11-15)13-24-23(26-21)25(30(7,8)28-29(24,5)6)14-20-12-16(2)10-18(4)22(20)27-23/h9-12H,13-14H2,1-8H3.
What are the key properties of 4,6,11,11,13,13,18,20-octamethyl-2,12,22-trioxa-10,14-diaza-11,13-disilapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3,5,7,16,18,20-hexaene?
4,6,11,11,13,13,18,20-octamethyl-2,12,22-trioxa-10,14-diaza-11,13-disilapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3,5,7,16,18,20-hexaene has a molecular weight of 440.69 g/mol, XLogP of 5.05, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,11,11,13,13,18,20-octamethyl-2,12,22-trioxa-10,14-diaza-11,13-disilapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3,5,7,16,18,20-hexaene is sourced from PubChem (CID 21135410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).