4,6,11,14-tetratert-butyl-9,9,16-trimethyl-8,10-dioxa-9-silatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13-pentaene

C32H52O2Si — CID 57168444

IUPAC4,6,11,14-tetratert-butyl-9,9,16-trimethyl-8,10-dioxa-9-silatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13-pentaene
SMILESCC1CC(C(C)(C)C)=CC2=C(C(C)(C)C)O[Si](C)(C)OC3C(C(C)(C)C)=CC(C(C)(C)C)=CC3=C21
InChIInChI=1S/C32H52O2Si/c1-20-16-21(29(2,3)4)18-24-26(20)23-17-22(30(5,6)7)19-25(31(8,9)10)27(23)33-35(14,15)34-28(24)32(11,12)13/h17-20,27H,16H2,1-15H3
InChIKeyNKTHXOGEZCWJPK-UHFFFAOYSA-N
MW496.85 g/mol
LogP9.67
Rot. Bonds

About 4,6,11,14-tetratert-butyl-9,9,16-trimethyl-8,10-dioxa-9-silatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13-pentaene

4,6,11,14-tetratert-butyl-9,9,16-trimethyl-8,10-dioxa-9-silatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13-pentaene (PubChem CID 57168444) has the molecular formula C32H52O2Si and a molecular weight of 496.85 g/mol. Its IUPAC name is 4,6,11,14-tetratert-butyl-9,9,16-trimethyl-8,10-dioxa-9-silatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13-pentaene.

Molecular Properties

Compound Name4,6,11,14-tetratert-butyl-9,9,16-trimethyl-8,10-dioxa-9-silatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13-pentaene
PubChem CID57168444
Molecular FormulaC32H52O2Si
Molecular Weight496.85 g/mol
Exact Mass496.37
IUPAC Name4,6,11,14-tetratert-butyl-9,9,16-trimethyl-8,10-dioxa-9-silatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13-pentaene
SMILESCC1CC(C(C)(C)C)=CC2=C(C(C)(C)C)O[Si](C)(C)OC3C(C(C)(C)C)=CC(C(C)(C)C)=CC3=C21
InChIInChI=1S/C32H52O2Si/c1-20-16-21(29(2,3)4)18-24-26(20)23-17-22(30(5,6)7)19-25(31(8,9)10)27(23)33-35(14,15)34-28(24)32(11,12)13/h17-20,27H,16H2,1-15H3
InChIKeyNKTHXOGEZCWJPK-UHFFFAOYSA-N
XLogP9.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.85
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,6,11,14-tetratert-butyl-9,9,16-trimethyl-8,10-dioxa-9-silatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,6,11,14-tetratert-butyl-9,9,16-trimethyl-8,10-dioxa-9-silatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13-pentaene?
The IUPAC name of 4,6,11,14-tetratert-butyl-9,9,16-trimethyl-8,10-dioxa-9-silatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13-pentaene (CID 57168444) is 4,6,11,14-tetratert-butyl-9,9,16-trimethyl-8,10-dioxa-9-silatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13-pentaene.
What is the SMILES notation for 4,6,11,14-tetratert-butyl-9,9,16-trimethyl-8,10-dioxa-9-silatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13-pentaene?
The canonical SMILES for 4,6,11,14-tetratert-butyl-9,9,16-trimethyl-8,10-dioxa-9-silatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13-pentaene is CC1CC(C(C)(C)C)=CC2=C(C(C)(C)C)O[Si](C)(C)OC3C(C(C)(C)C)=CC(C(C)(C)C)=CC3=C21.
What is the InChIKey of 4,6,11,14-tetratert-butyl-9,9,16-trimethyl-8,10-dioxa-9-silatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13-pentaene?
The InChIKey is NKTHXOGEZCWJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H52O2Si/c1-20-16-21(29(2,3)4)18-24-26(20)23-17-22(30(5,6)7)19-25(31(8,9)10)27(23)33-35(14,15)34-28(24)32(11,12)13/h17-20,27H,16H2,1-15H3.
What are the key properties of 4,6,11,14-tetratert-butyl-9,9,16-trimethyl-8,10-dioxa-9-silatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13-pentaene?
4,6,11,14-tetratert-butyl-9,9,16-trimethyl-8,10-dioxa-9-silatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13-pentaene has a molecular weight of 496.85 g/mol, XLogP of 9.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,11,14-tetratert-butyl-9,9,16-trimethyl-8,10-dioxa-9-silatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13-pentaene is sourced from PubChem (CID 57168444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).