15,16-dimethoxy-22-(4-methoxyphenyl)-11-trimethylsilylhexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-9-one

C35H30O4Si — CID 133053930

IUPAC15,16-dimethoxy-22-(4-methoxyphenyl)-11-trimethylsilylhexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-9-one
SMILESCOc1ccc(-c2ccc3c4c(c([Si](C)(C)C)c5c(c24)-c2ccccc2C5=O)-c2cc(OC)c(OC)cc2-3)cc1
InChIInChI=1S/C35H30O4Si/c1-37-20-13-11-19(12-14-20)21-15-16-23-25-17-27(38-2)28(39-3)18-26(25)32-30(23)29(21)31-22-9-7-8-10-24(22)34(36)33(31)35(32)40(4,5)6/h7-18H,1-6H3
InChIKeyCQCCPCZEBBGVKM-UHFFFAOYSA-N
MW542.71 g/mol
LogP7.94
Rot. Bonds5

About 15,16-dimethoxy-22-(4-methoxyphenyl)-11-trimethylsilylhexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-9-one

15,16-dimethoxy-22-(4-methoxyphenyl)-11-trimethylsilylhexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-9-one (PubChem CID 133053930) has the molecular formula C35H30O4Si and a molecular weight of 542.71 g/mol. Its IUPAC name is 15,16-dimethoxy-22-(4-methoxyphenyl)-11-trimethylsilylhexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-9-one.

Molecular Properties

Compound Name15,16-dimethoxy-22-(4-methoxyphenyl)-11-trimethylsilylhexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-9-one
PubChem CID133053930
Molecular FormulaC35H30O4Si
Molecular Weight542.71 g/mol
Exact Mass542.19
IUPAC Name15,16-dimethoxy-22-(4-methoxyphenyl)-11-trimethylsilylhexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-9-one
SMILESCOc1ccc(-c2ccc3c4c(c([Si](C)(C)C)c5c(c24)-c2ccccc2C5=O)-c2cc(OC)c(OC)cc2-3)cc1
InChIInChI=1S/C35H30O4Si/c1-37-20-13-11-19(12-14-20)21-15-16-23-25-17-27(38-2)28(39-3)18-26(25)32-30(23)29(21)31-22-9-7-8-10-24(22)34(36)33(31)35(32)40(4,5)6/h7-18H,1-6H3
InChIKeyCQCCPCZEBBGVKM-UHFFFAOYSA-N
XLogP7.94
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.71
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 15,16-dimethoxy-22-(4-methoxyphenyl)-11-trimethylsilylhexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15,16-dimethoxy-22-(4-methoxyphenyl)-11-trimethylsilylhexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-9-one?
The IUPAC name of 15,16-dimethoxy-22-(4-methoxyphenyl)-11-trimethylsilylhexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-9-one (CID 133053930) is 15,16-dimethoxy-22-(4-methoxyphenyl)-11-trimethylsilylhexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-9-one.
What is the SMILES notation for 15,16-dimethoxy-22-(4-methoxyphenyl)-11-trimethylsilylhexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-9-one?
The canonical SMILES for 15,16-dimethoxy-22-(4-methoxyphenyl)-11-trimethylsilylhexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-9-one is COc1ccc(-c2ccc3c4c(c([Si](C)(C)C)c5c(c24)-c2ccccc2C5=O)-c2cc(OC)c(OC)cc2-3)cc1.
What is the InChIKey of 15,16-dimethoxy-22-(4-methoxyphenyl)-11-trimethylsilylhexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-9-one?
The InChIKey is CQCCPCZEBBGVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30O4Si/c1-37-20-13-11-19(12-14-20)21-15-16-23-25-17-27(38-2)28(39-3)18-26(25)32-30(23)29(21)31-22-9-7-8-10-24(22)34(36)33(31)35(32)40(4,5)6/h7-18H,1-6H3.
What are the key properties of 15,16-dimethoxy-22-(4-methoxyphenyl)-11-trimethylsilylhexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-9-one?
15,16-dimethoxy-22-(4-methoxyphenyl)-11-trimethylsilylhexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-9-one has a molecular weight of 542.71 g/mol, XLogP of 7.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15,16-dimethoxy-22-(4-methoxyphenyl)-11-trimethylsilylhexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-9-one is sourced from PubChem (CID 133053930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).