(7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one

C23H43NO3Si — CID 71236131

IUPAC(7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one
SMILESCO[C@H]1/C=C/CCCCC(=O)N(C)C/C(C)=C\[C@@H](C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H43NO3Si/c1-18-16-19(2)22(27-28(8,9)23(3,4)5)20(26-7)14-12-10-11-13-15-21(25)24(6)17-18/h12,14,16,19-20,22H,10-11,13,15,17H2,1-9H3/b14-12+,18-16-/t19-,20+,22+/m1/s1
InChIKeySGLUNKYDOVDXNC-ITWACJLPSA-N
MW409.69 g/mol
LogP5.56
Rot. Bonds3

About (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one

(7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one (PubChem CID 71236131) has the molecular formula C23H43NO3Si and a molecular weight of 409.69 g/mol. Its IUPAC name is (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one.

Molecular Properties

Compound Name(7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one
PubChem CID71236131
Molecular FormulaC23H43NO3Si
Molecular Weight409.69 g/mol
Exact Mass409.30
IUPAC Name(7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one
SMILESCO[C@H]1/C=C/CCCCC(=O)N(C)C/C(C)=C\[C@@H](C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H43NO3Si/c1-18-16-19(2)22(27-28(8,9)23(3,4)5)20(26-7)14-12-10-11-13-15-21(25)24(6)17-18/h12,14,16,19-20,22H,10-11,13,15,17H2,1-9H3/b14-12+,18-16-/t19-,20+,22+/m1/s1
InChIKeySGLUNKYDOVDXNC-ITWACJLPSA-N
XLogP5.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.69
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one 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 (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one?
The IUPAC name of (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one (CID 71236131) is (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one.
What is the SMILES notation for (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one?
The canonical SMILES for (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one is CO[C@H]1/C=C/CCCCC(=O)N(C)C/C(C)=C\[C@@H](C)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one?
The InChIKey is SGLUNKYDOVDXNC-ITWACJLPSA-N. The full InChI is InChI=1S/C23H43NO3Si/c1-18-16-19(2)22(27-28(8,9)23(3,4)5)20(26-7)14-12-10-11-13-15-21(25)24(6)17-18/h12,14,16,19-20,22H,10-11,13,15,17H2,1-9H3/b14-12+,18-16-/t19-,20+,22+/m1/s1.
What are the key properties of (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one?
(7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one has a molecular weight of 409.69 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one is sourced from PubChem (CID 71236131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).