tert-butyl (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene-4-carboxylate

C26H49NO5Si — CID 71236142

IUPACtert-butyl (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene-4-carboxylate
SMILESCO[C@H]1/C=C/CCN(C(=O)OC(C)(C)C)CCOC/C(C)=C\C(C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H49NO5Si/c1-20-18-21(2)23(32-33(10,11)26(6,7)8)22(29-9)14-12-13-15-27(16-17-30-19-20)24(28)31-25(3,4)5/h12,14,18,21-23H,13,15-17,19H2,1-11H3/b14-12+,20-18-/t21?,22-,23-/m0/s1
InChIKeyJBAIWTQPUOGRPU-IMRUEBPZSA-N
MW483.77 g/mol
LogP6.19
Rot. Bonds3

About tert-butyl (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene-4-carboxylate

tert-butyl (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene-4-carboxylate (PubChem CID 71236142) has the molecular formula C26H49NO5Si and a molecular weight of 483.77 g/mol. Its IUPAC name is tert-butyl (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene-4-carboxylate
PubChem CID71236142
Molecular FormulaC26H49NO5Si
Molecular Weight483.77 g/mol
Exact Mass483.34
IUPAC Nametert-butyl (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene-4-carboxylate
SMILESCO[C@H]1/C=C/CCN(C(=O)OC(C)(C)C)CCOC/C(C)=C\C(C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H49NO5Si/c1-20-18-21(2)23(32-33(10,11)26(6,7)8)22(29-9)14-12-13-15-27(16-17-30-19-20)24(28)31-25(3,4)5/h12,14,18,21-23H,13,15-17,19H2,1-11H3/b14-12+,20-18-/t21?,22-,23-/m0/s1
InChIKeyJBAIWTQPUOGRPU-IMRUEBPZSA-N
XLogP6.19
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.77
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene-4-carboxylate 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 tert-butyl (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene-4-carboxylate?
The IUPAC name of tert-butyl (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene-4-carboxylate (CID 71236142) is tert-butyl (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene-4-carboxylate.
What is the SMILES notation for tert-butyl (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene-4-carboxylate?
The canonical SMILES for tert-butyl (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene-4-carboxylate is CO[C@H]1/C=C/CCN(C(=O)OC(C)(C)C)CCOC/C(C)=C\C(C)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene-4-carboxylate?
The InChIKey is JBAIWTQPUOGRPU-IMRUEBPZSA-N. The full InChI is InChI=1S/C26H49NO5Si/c1-20-18-21(2)23(32-33(10,11)26(6,7)8)22(29-9)14-12-13-15-27(16-17-30-19-20)24(28)31-25(3,4)5/h12,14,18,21-23H,13,15-17,19H2,1-11H3/b14-12+,20-18-/t21?,22-,23-/m0/s1.
What are the key properties of tert-butyl (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene-4-carboxylate?
tert-butyl (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene-4-carboxylate has a molecular weight of 483.77 g/mol, XLogP of 6.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene-4-carboxylate is sourced from PubChem (CID 71236142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).