tert-butyl-dimethyl-[[19-[4-(2-piperidin-1-ylethoxy)phenyl]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12,14,16-heptaen-5-yl]oxy]silane

C36H45NO4Si — CID 69314333

IUPACtert-butyl-dimethyl-[[19-[4-(2-piperidin-1-ylethoxy)phenyl]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12,14,16-heptaen-5-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2c(c1)OCCC1=C2C(c2ccc(OCCN3CCCCC3)cc2)Oc2ccccc21
InChIInChI=1S/C36H45NO4Si/c1-36(2,3)42(4,5)41-28-17-18-31-33(25-28)39-23-19-30-29-11-7-8-12-32(29)40-35(34(30)31)26-13-15-27(16-14-26)38-24-22-37-20-9-6-10-21-37/h7-8,11-18,25,35H,6,9-10,19-24H2,1-5H3
InChIKeyBHHRJILRPIFWBF-UHFFFAOYSA-N
MW583.85 g/mol
LogP8.76
Rot. Bonds7

About tert-butyl-dimethyl-[[19-[4-(2-piperidin-1-ylethoxy)phenyl]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12,14,16-heptaen-5-yl]oxy]silane

tert-butyl-dimethyl-[[19-[4-(2-piperidin-1-ylethoxy)phenyl]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12,14,16-heptaen-5-yl]oxy]silane (PubChem CID 69314333) has the molecular formula C36H45NO4Si and a molecular weight of 583.85 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[19-[4-(2-piperidin-1-ylethoxy)phenyl]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12,14,16-heptaen-5-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[19-[4-(2-piperidin-1-ylethoxy)phenyl]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12,14,16-heptaen-5-yl]oxy]silane
PubChem CID69314333
Molecular FormulaC36H45NO4Si
Molecular Weight583.85 g/mol
Exact Mass583.31
IUPAC Nametert-butyl-dimethyl-[[19-[4-(2-piperidin-1-ylethoxy)phenyl]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12,14,16-heptaen-5-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2c(c1)OCCC1=C2C(c2ccc(OCCN3CCCCC3)cc2)Oc2ccccc21
InChIInChI=1S/C36H45NO4Si/c1-36(2,3)42(4,5)41-28-17-18-31-33(25-28)39-23-19-30-29-11-7-8-12-32(29)40-35(34(30)31)26-13-15-27(16-14-26)38-24-22-37-20-9-6-10-21-37/h7-8,11-18,25,35H,6,9-10,19-24H2,1-5H3
InChIKeyBHHRJILRPIFWBF-UHFFFAOYSA-N
XLogP8.76
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.85
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[[19-[4-(2-piperidin-1-ylethoxy)phenyl]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12,14,16-heptaen-5-yl]oxy]silane with MolForge

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Related Compounds

(19R)-19-[4-(2-piperidin-1-ylethoxy)phenyl]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2,4,6,12(17),13,15-heptaen-15-ol
CID 44596575
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
tert-butyl-[[(19S)-5-[tert-butyl(dimethyl)silyl]oxy-19-[3-(2-thiomorpholin-4-ylethoxy)phenyl]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-15-yl]oxy]-dimethylsilane
CID 44596998
[(5S)-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate;[(5R)-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate
CID 159100804
4-[(2S)-7-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-3-yl]phenol
CID 16656741
tert-butyl-[[2-[tert-butyl(dimethyl)silyl]oxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-8-yl]oxy]-dimethylsilane
CID 19595113
[(5R)-8-hydroxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate;[(11R)-8-hydroxy-11-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate
CID 161151245
(19S)-19-[4-(2-thiomorpholin-4-ylethoxy)phenyl]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaene-5,15-diol
CID 44597097
1-[2-[4-(4-methyl-3-phenyl-2H-chromen-2-yl)phenoxy]ethyl]pyrrolidine
CID 14751389
1-[2-[4-(6H-[1]benzothiolo[3,2-c]chromen-6-yl)phenoxy]ethyl]piperidine
CID 10765621
1-[2-[4-[(2S)-4,7-dimethyl-3-(4-methylphenyl)-2H-chromen-2-yl]phenoxy]ethyl]piperidine;ethane
CID 143701534
(19R)-19-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-14-propyl-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-5-ol
CID 146428262

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[19-[4-(2-piperidin-1-ylethoxy)phenyl]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12,14,16-heptaen-5-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[19-[4-(2-piperidin-1-ylethoxy)phenyl]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12,14,16-heptaen-5-yl]oxy]silane (CID 69314333) is tert-butyl-dimethyl-[[19-[4-(2-piperidin-1-ylethoxy)phenyl]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12,14,16-heptaen-5-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[19-[4-(2-piperidin-1-ylethoxy)phenyl]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12,14,16-heptaen-5-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[19-[4-(2-piperidin-1-ylethoxy)phenyl]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12,14,16-heptaen-5-yl]oxy]silane is CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)OCCC1=C2C(c2ccc(OCCN3CCCCC3)cc2)Oc2ccccc21.
What is the InChIKey of tert-butyl-dimethyl-[[19-[4-(2-piperidin-1-ylethoxy)phenyl]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12,14,16-heptaen-5-yl]oxy]silane?
The InChIKey is BHHRJILRPIFWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H45NO4Si/c1-36(2,3)42(4,5)41-28-17-18-31-33(25-28)39-23-19-30-29-11-7-8-12-32(29)40-35(34(30)31)26-13-15-27(16-14-26)38-24-22-37-20-9-6-10-21-37/h7-8,11-18,25,35H,6,9-10,19-24H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[[19-[4-(2-piperidin-1-ylethoxy)phenyl]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12,14,16-heptaen-5-yl]oxy]silane?
tert-butyl-dimethyl-[[19-[4-(2-piperidin-1-ylethoxy)phenyl]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12,14,16-heptaen-5-yl]oxy]silane has a molecular weight of 583.85 g/mol, XLogP of 8.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[19-[4-(2-piperidin-1-ylethoxy)phenyl]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12,14,16-heptaen-5-yl]oxy]silane is sourced from PubChem (CID 69314333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).