1-[2-[4-[(19S)-5,15-bis[[tert-butyl(dimethyl)silyl]oxy]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-19-yl]phenoxy]ethyl]pyrrolidine-2,5-dione

C41H53NO7Si2 — CID 44597102

IUPAC1-[2-[4-[(19S)-5,15-bis[[tert-butyl(dimethyl)silyl]oxy]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-19-yl]phenoxy]ethyl]pyrrolidine-2,5-dione
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2c(c1)O[C@@H](c1ccc(OCCN3C(=O)CCC3=O)cc1)C1=C2CCOc2cc(O[Si](C)(C)C(C)(C)C)ccc21
InChIInChI=1S/C41H53NO7Si2/c1-40(2,3)50(7,8)48-29-16-18-33-34(25-29)46-23-21-32-31-17-15-30(49-51(9,10)41(4,5)6)26-35(31)47-39(38(32)33)27-11-13-28(14-12-27)45-24-22-42-36(43)19-20-37(42)44/h11-18,25-26,39H,19-24H2,1-10H3/t39-/m0/s1
InChIKeyFAEXPQXCHKQRFY-KDXMTYKHSA-N
MW728.05 g/mol
LogP9.81
Rot. Bonds9

About 1-[2-[4-[(19S)-5,15-bis[[tert-butyl(dimethyl)silyl]oxy]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-19-yl]phenoxy]ethyl]pyrrolidine-2,5-dione

1-[2-[4-[(19S)-5,15-bis[[tert-butyl(dimethyl)silyl]oxy]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-19-yl]phenoxy]ethyl]pyrrolidine-2,5-dione (PubChem CID 44597102) has the molecular formula C41H53NO7Si2 and a molecular weight of 728.05 g/mol. Its IUPAC name is 1-[2-[4-[(19S)-5,15-bis[[tert-butyl(dimethyl)silyl]oxy]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-19-yl]phenoxy]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-[(19S)-5,15-bis[[tert-butyl(dimethyl)silyl]oxy]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-19-yl]phenoxy]ethyl]pyrrolidine-2,5-dione
PubChem CID44597102
Molecular FormulaC41H53NO7Si2
Molecular Weight728.05 g/mol
Exact Mass727.34
IUPAC Name1-[2-[4-[(19S)-5,15-bis[[tert-butyl(dimethyl)silyl]oxy]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-19-yl]phenoxy]ethyl]pyrrolidine-2,5-dione
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2c(c1)O[C@@H](c1ccc(OCCN3C(=O)CCC3=O)cc1)C1=C2CCOc2cc(O[Si](C)(C)C(C)(C)C)ccc21
InChIInChI=1S/C41H53NO7Si2/c1-40(2,3)50(7,8)48-29-16-18-33-34(25-29)46-23-21-32-31-17-15-30(49-51(9,10)41(4,5)6)26-35(31)47-39(38(32)33)27-11-13-28(14-12-27)45-24-22-42-36(43)19-20-37(42)44/h11-18,25-26,39H,19-24H2,1-10H3/t39-/m0/s1
InChIKeyFAEXPQXCHKQRFY-KDXMTYKHSA-N
XLogP9.81
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.05
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[2-[4-[(19S)-5,15-bis[[tert-butyl(dimethyl)silyl]oxy]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-19-yl]phenoxy]ethyl]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(19S)-5,15-bis[[tert-butyl(dimethyl)silyl]oxy]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-19-yl]phenoxy]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-[(19S)-5,15-bis[[tert-butyl(dimethyl)silyl]oxy]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-19-yl]phenoxy]ethyl]pyrrolidine-2,5-dione (CID 44597102) is 1-[2-[4-[(19S)-5,15-bis[[tert-butyl(dimethyl)silyl]oxy]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-19-yl]phenoxy]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-[(19S)-5,15-bis[[tert-butyl(dimethyl)silyl]oxy]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-19-yl]phenoxy]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-[(19S)-5,15-bis[[tert-butyl(dimethyl)silyl]oxy]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-19-yl]phenoxy]ethyl]pyrrolidine-2,5-dione is CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)O[C@@H](c1ccc(OCCN3C(=O)CCC3=O)cc1)C1=C2CCOc2cc(O[Si](C)(C)C(C)(C)C)ccc21.
What is the InChIKey of 1-[2-[4-[(19S)-5,15-bis[[tert-butyl(dimethyl)silyl]oxy]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-19-yl]phenoxy]ethyl]pyrrolidine-2,5-dione?
The InChIKey is FAEXPQXCHKQRFY-KDXMTYKHSA-N. The full InChI is InChI=1S/C41H53NO7Si2/c1-40(2,3)50(7,8)48-29-16-18-33-34(25-29)46-23-21-32-31-17-15-30(49-51(9,10)41(4,5)6)26-35(31)47-39(38(32)33)27-11-13-28(14-12-27)45-24-22-42-36(43)19-20-37(42)44/h11-18,25-26,39H,19-24H2,1-10H3/t39-/m0/s1.
What are the key properties of 1-[2-[4-[(19S)-5,15-bis[[tert-butyl(dimethyl)silyl]oxy]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-19-yl]phenoxy]ethyl]pyrrolidine-2,5-dione?
1-[2-[4-[(19S)-5,15-bis[[tert-butyl(dimethyl)silyl]oxy]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-19-yl]phenoxy]ethyl]pyrrolidine-2,5-dione has a molecular weight of 728.05 g/mol, XLogP of 9.81, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(19S)-5,15-bis[[tert-butyl(dimethyl)silyl]oxy]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-19-yl]phenoxy]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 44597102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).