14-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,11-dimethyl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone

C32H45N5O6Si — CID 123725233

IUPAC14-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,11-dimethyl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone
SMILESCC1NC(=O)C(CO[Si](C)(C)C(C)(C)C)NC(=O)CC=Cc2cc3cc(ccc3cn2)C(C)OC(=O)C2CCCN(N2)C1=O
InChIInChI=1S/C32H45N5O6Si/c1-20-30(40)37-15-9-11-26(36-37)31(41)43-21(2)22-13-14-23-18-33-25(17-24(23)16-22)10-8-12-28(38)35-27(29(39)34-20)19-42-44(6,7)32(3,4)5/h8,10,13-14,16-18,20-21,26-27,36H,9,11-12,15,19H2,1-7H3,(H,34,39)(H,35,38)
InChIKeyATNSWUSUEJCYMU-UHFFFAOYSA-N
MW623.83 g/mol
LogP3.76
Rot. Bonds3

About 14-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,11-dimethyl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone

14-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,11-dimethyl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone (PubChem CID 123725233) has the molecular formula C32H45N5O6Si and a molecular weight of 623.83 g/mol. Its IUPAC name is 14-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,11-dimethyl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone.

Molecular Properties

Compound Name14-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,11-dimethyl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone
PubChem CID123725233
Molecular FormulaC32H45N5O6Si
Molecular Weight623.83 g/mol
Exact Mass623.31
IUPAC Name14-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,11-dimethyl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone
SMILESCC1NC(=O)C(CO[Si](C)(C)C(C)(C)C)NC(=O)CC=Cc2cc3cc(ccc3cn2)C(C)OC(=O)C2CCCN(N2)C1=O
InChIInChI=1S/C32H45N5O6Si/c1-20-30(40)37-15-9-11-26(36-37)31(41)43-21(2)22-13-14-23-18-33-25(17-24(23)16-22)10-8-12-28(38)35-27(29(39)34-20)19-42-44(6,7)32(3,4)5/h8,10,13-14,16-18,20-21,26-27,36H,9,11-12,15,19H2,1-7H3,(H,34,39)(H,35,38)
InChIKeyATNSWUSUEJCYMU-UHFFFAOYSA-N
XLogP3.76
TPSA138.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500623.83
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 14-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,11-dimethyl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,11-dimethyl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone?
The IUPAC name of 14-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,11-dimethyl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone (CID 123725233) is 14-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,11-dimethyl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone.
What is the SMILES notation for 14-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,11-dimethyl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone?
The canonical SMILES for 14-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,11-dimethyl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone is CC1NC(=O)C(CO[Si](C)(C)C(C)(C)C)NC(=O)CC=Cc2cc3cc(ccc3cn2)C(C)OC(=O)C2CCCN(N2)C1=O.
What is the InChIKey of 14-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,11-dimethyl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone?
The InChIKey is ATNSWUSUEJCYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45N5O6Si/c1-20-30(40)37-15-9-11-26(36-37)31(41)43-21(2)22-13-14-23-18-33-25(17-24(23)16-22)10-8-12-28(38)35-27(29(39)34-20)19-42-44(6,7)32(3,4)5/h8,10,13-14,16-18,20-21,26-27,36H,9,11-12,15,19H2,1-7H3,(H,34,39)(H,35,38).
What are the key properties of 14-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,11-dimethyl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone?
14-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,11-dimethyl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone has a molecular weight of 623.83 g/mol, XLogP of 3.76, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,11-dimethyl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone is sourced from PubChem (CID 123725233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).