15-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2,4-dimethoxyphenyl)methyl]-3,6-dimethyl-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-4-one

C34H44N2O4Si — CID 172733671

IUPAC15-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2,4-dimethoxyphenyl)methyl]-3,6-dimethyl-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-4-one
SMILESCOc1ccc(Cc2c(C)c3c(n(C)c2=O)-c2cc4cc(CO[Si](C)(C)C(C)(C)C)[nH]c4cc2CCC3)c(OC)c1
InChIInChI=1S/C34H44N2O4Si/c1-21-27-12-10-11-22-18-30-24(15-25(35-30)20-40-41(8,9)34(2,3)4)17-29(22)32(27)36(5)33(37)28(21)16-23-13-14-26(38-6)19-31(23)39-7/h13-15,17-19,35H,10-12,16,20H2,1-9H3
InChIKeyIDDYEMZLQNJOAE-UHFFFAOYSA-N
MW572.82 g/mol
LogP7.46
Rot. Bonds7

About 15-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2,4-dimethoxyphenyl)methyl]-3,6-dimethyl-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-4-one

15-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2,4-dimethoxyphenyl)methyl]-3,6-dimethyl-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-4-one (PubChem CID 172733671) has the molecular formula C34H44N2O4Si and a molecular weight of 572.82 g/mol. Its IUPAC name is 15-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2,4-dimethoxyphenyl)methyl]-3,6-dimethyl-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-4-one.

Molecular Properties

Compound Name15-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2,4-dimethoxyphenyl)methyl]-3,6-dimethyl-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-4-one
PubChem CID172733671
Molecular FormulaC34H44N2O4Si
Molecular Weight572.82 g/mol
Exact Mass572.31
IUPAC Name15-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2,4-dimethoxyphenyl)methyl]-3,6-dimethyl-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-4-one
SMILESCOc1ccc(Cc2c(C)c3c(n(C)c2=O)-c2cc4cc(CO[Si](C)(C)C(C)(C)C)[nH]c4cc2CCC3)c(OC)c1
InChIInChI=1S/C34H44N2O4Si/c1-21-27-12-10-11-22-18-30-24(15-25(35-30)20-40-41(8,9)34(2,3)4)17-29(22)32(27)36(5)33(37)28(21)16-23-13-14-26(38-6)19-31(23)39-7/h13-15,17-19,35H,10-12,16,20H2,1-9H3
InChIKeyIDDYEMZLQNJOAE-UHFFFAOYSA-N
XLogP7.46
TPSA65.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.82
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 15-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2,4-dimethoxyphenyl)methyl]-3,6-dimethyl-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-4-one?
The IUPAC name of 15-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2,4-dimethoxyphenyl)methyl]-3,6-dimethyl-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-4-one (CID 172733671) is 15-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2,4-dimethoxyphenyl)methyl]-3,6-dimethyl-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-4-one.
What is the SMILES notation for 15-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2,4-dimethoxyphenyl)methyl]-3,6-dimethyl-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-4-one?
The canonical SMILES for 15-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2,4-dimethoxyphenyl)methyl]-3,6-dimethyl-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-4-one is COc1ccc(Cc2c(C)c3c(n(C)c2=O)-c2cc4cc(CO[Si](C)(C)C(C)(C)C)[nH]c4cc2CCC3)c(OC)c1.
What is the InChIKey of 15-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2,4-dimethoxyphenyl)methyl]-3,6-dimethyl-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-4-one?
The InChIKey is IDDYEMZLQNJOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N2O4Si/c1-21-27-12-10-11-22-18-30-24(15-25(35-30)20-40-41(8,9)34(2,3)4)17-29(22)32(27)36(5)33(37)28(21)16-23-13-14-26(38-6)19-31(23)39-7/h13-15,17-19,35H,10-12,16,20H2,1-9H3.
What are the key properties of 15-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2,4-dimethoxyphenyl)methyl]-3,6-dimethyl-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-4-one?
15-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2,4-dimethoxyphenyl)methyl]-3,6-dimethyl-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-4-one has a molecular weight of 572.82 g/mol, XLogP of 7.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2,4-dimethoxyphenyl)methyl]-3,6-dimethyl-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-4-one is sourced from PubChem (CID 172733671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).