(1S,2R,6R,10S,11S)-10,11-bis[[tert-butyl(diphenyl)silyl]oxy]-3,7-dioxa-8-azatricyclo[6.3.0.02,6]undecan-4-ol

C40H49NO5Si2 — CID 11146818

IUPAC(1S,2R,6R,10S,11S)-10,11-bis[[tert-butyl(diphenyl)silyl]oxy]-3,7-dioxa-8-azatricyclo[6.3.0.02,6]undecan-4-ol
SMILESCC(C)(C)[Si](O[C@H]1[C@@H]2[C@H]3OC(O)C[C@H]3ON2C[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H49NO5Si2/c1-39(2,3)47(29-19-11-7-12-20-29,30-21-13-8-14-22-30)45-34-28-41-36(37-33(44-41)27-35(42)43-37)38(34)46-48(40(4,5)6,31-23-15-9-16-24-31)32-25-17-10-18-26-32/h7-26,33-38,42H,27-28H2,1-6H3/t33-,34+,35?,36+,37+,38-/m1/s1
InChIKeyCXTQIJLJDKSRNR-JYHOEMKVSA-N
MW680.01 g/mol
LogP4.98
Rot. Bonds8

About (1S,2R,6R,10S,11S)-10,11-bis[[tert-butyl(diphenyl)silyl]oxy]-3,7-dioxa-8-azatricyclo[6.3.0.02,6]undecan-4-ol

(1S,2R,6R,10S,11S)-10,11-bis[[tert-butyl(diphenyl)silyl]oxy]-3,7-dioxa-8-azatricyclo[6.3.0.02,6]undecan-4-ol (PubChem CID 11146818) has the molecular formula C40H49NO5Si2 and a molecular weight of 680.01 g/mol. Its IUPAC name is (1S,2R,6R,10S,11S)-10,11-bis[[tert-butyl(diphenyl)silyl]oxy]-3,7-dioxa-8-azatricyclo[6.3.0.02,6]undecan-4-ol.

Molecular Properties

Compound Name(1S,2R,6R,10S,11S)-10,11-bis[[tert-butyl(diphenyl)silyl]oxy]-3,7-dioxa-8-azatricyclo[6.3.0.02,6]undecan-4-ol
PubChem CID11146818
Molecular FormulaC40H49NO5Si2
Molecular Weight680.01 g/mol
Exact Mass679.31
IUPAC Name(1S,2R,6R,10S,11S)-10,11-bis[[tert-butyl(diphenyl)silyl]oxy]-3,7-dioxa-8-azatricyclo[6.3.0.02,6]undecan-4-ol
SMILESCC(C)(C)[Si](O[C@H]1[C@@H]2[C@H]3OC(O)C[C@H]3ON2C[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H49NO5Si2/c1-39(2,3)47(29-19-11-7-12-20-29,30-21-13-8-14-22-30)45-34-28-41-36(37-33(44-41)27-35(42)43-37)38(34)46-48(40(4,5)6,31-23-15-9-16-24-31)32-25-17-10-18-26-32/h7-26,33-38,42H,27-28H2,1-6H3/t33-,34+,35?,36+,37+,38-/m1/s1
InChIKeyCXTQIJLJDKSRNR-JYHOEMKVSA-N
XLogP4.98
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500680.01
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1S,2R,6R,10S,11S)-10,11-bis[[tert-butyl(diphenyl)silyl]oxy]-3,7-dioxa-8-azatricyclo[6.3.0.02,6]undecan-4-ol with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl-[2-[(1S,2R,6S,7S,10S)-7-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,4-dimethyl-3,5,9-trioxa-8-azatricyclo[6.3.0.02,6]undecan-10-yl]-2,2-dimethoxyethoxy]-diphenylsilane
CID 135028276
(1S)-1-[(3aS,4S,6S,7S,8aS,8bR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-hydroxy-2,2-dimethyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]ethane-1,2-diol
CID 135028278
(1S,2R,6R,10S,11S)-10,11-bis[[tert-butyl(diphenyl)silyl]oxy]-3,7-dioxa-8-azatricyclo[6.3.0.02,6]undecan-4-one
CID 10930418
tert-butyl-[2-[(1S,2S,6R,10S)-4,4-dimethyl-3,5,9-trioxa-8-azatricyclo[6.3.0.02,6]undecan-10-yl]ethoxy]-diphenylsilane
CID 11081133
tert-butyl-[[(1S,2S,6R,7R,10S)-4,4-dimethyl-7-(phenylselanylmethyl)-3,5,9-trioxa-8-azatricyclo[6.3.0.02,6]undecan-10-yl]methoxy]-diphenylsilane
CID 21772850
[(3aR,4R,6S,8S,8aS,8bS)-8-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methoxy-tert-butyl-diphenylsilane
CID 101477298
[(3aR,4R,6R,8S,8aS,8bS)-8-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methoxy-tert-butyl-diphenylsilane
CID 101477299
[(3aR,4R,6S,8R,8aS,8bS)-8-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methoxy-tert-butyl-diphenylsilane
CID 101477303
[(3aR,4R,6R,8R,8aS,8bS)-8-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methoxy-tert-butyl-diphenylsilane
CID 101477304
Tert-butyl-[2-[7-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-dimethyl-3,5,9-trioxa-8-azatricyclo[6.3.0.02,6]undecan-10-yl]-2,2-dimethoxyethoxy]-diphenylsilane
CID 101892480

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6R,10S,11S)-10,11-bis[[tert-butyl(diphenyl)silyl]oxy]-3,7-dioxa-8-azatricyclo[6.3.0.02,6]undecan-4-ol?
The IUPAC name of (1S,2R,6R,10S,11S)-10,11-bis[[tert-butyl(diphenyl)silyl]oxy]-3,7-dioxa-8-azatricyclo[6.3.0.02,6]undecan-4-ol (CID 11146818) is (1S,2R,6R,10S,11S)-10,11-bis[[tert-butyl(diphenyl)silyl]oxy]-3,7-dioxa-8-azatricyclo[6.3.0.02,6]undecan-4-ol.
What is the SMILES notation for (1S,2R,6R,10S,11S)-10,11-bis[[tert-butyl(diphenyl)silyl]oxy]-3,7-dioxa-8-azatricyclo[6.3.0.02,6]undecan-4-ol?
The canonical SMILES for (1S,2R,6R,10S,11S)-10,11-bis[[tert-butyl(diphenyl)silyl]oxy]-3,7-dioxa-8-azatricyclo[6.3.0.02,6]undecan-4-ol is CC(C)(C)[Si](O[C@H]1[C@@H]2[C@H]3OC(O)C[C@H]3ON2C[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S,2R,6R,10S,11S)-10,11-bis[[tert-butyl(diphenyl)silyl]oxy]-3,7-dioxa-8-azatricyclo[6.3.0.02,6]undecan-4-ol?
The InChIKey is CXTQIJLJDKSRNR-JYHOEMKVSA-N. The full InChI is InChI=1S/C40H49NO5Si2/c1-39(2,3)47(29-19-11-7-12-20-29,30-21-13-8-14-22-30)45-34-28-41-36(37-33(44-41)27-35(42)43-37)38(34)46-48(40(4,5)6,31-23-15-9-16-24-31)32-25-17-10-18-26-32/h7-26,33-38,42H,27-28H2,1-6H3/t33-,34+,35?,36+,37+,38-/m1/s1.
What are the key properties of (1S,2R,6R,10S,11S)-10,11-bis[[tert-butyl(diphenyl)silyl]oxy]-3,7-dioxa-8-azatricyclo[6.3.0.02,6]undecan-4-ol?
(1S,2R,6R,10S,11S)-10,11-bis[[tert-butyl(diphenyl)silyl]oxy]-3,7-dioxa-8-azatricyclo[6.3.0.02,6]undecan-4-ol has a molecular weight of 680.01 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6R,10S,11S)-10,11-bis[[tert-butyl(diphenyl)silyl]oxy]-3,7-dioxa-8-azatricyclo[6.3.0.02,6]undecan-4-ol is sourced from PubChem (CID 11146818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).