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

C24H45NO3Si — CID 71236132

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

(7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-1-ethyl-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one (PubChem CID 71236132) has the molecular formula C24H45NO3Si and a molecular weight of 423.71 g/mol. Its IUPAC name is (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-1-ethyl-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one.

Molecular Properties

• Compound Name: (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-1-ethyl-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one
• PubChem CID: 71236132
• Molecular Formula: C24H45NO3Si
• Molecular Weight: 423.71 g/mol
• Exact Mass: 423.32
• IUPAC Name: (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-1-ethyl-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one
• SMILES: CCN1C/C(C)=C\[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)/C=C/CCCCC1=O
• InChI: InChI=1S/C24H45NO3Si/c1-10-25-18-19(2)17-20(3)23(28-29(8,9)24(4,5)6)21(27-7)15-13-11-12-14-16-22(25)26/h13,15,17,20-21,23H,10-12,14,16,18H2,1-9H3/b15-13+,19-17-/t20-,21+,23+/m1/s1
• InChIKey: HXSVPPPZOHXUNB-VDVLVKFKSA-N
• XLogP: 5.95
• TPSA: 38.77 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.71
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-1-ethyl-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one?

The IUPAC name of (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-1-ethyl-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one (CID 71236132) is (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-1-ethyl-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one.

What is the SMILES notation for (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-1-ethyl-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one?

The canonical SMILES for (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-1-ethyl-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one is CCN1C/C(C)=C\[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)/C=C/CCCCC1=O.

What is the InChIKey of (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-1-ethyl-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one?

The InChIKey is HXSVPPPZOHXUNB-VDVLVKFKSA-N. The full InChI is InChI=1S/C24H45NO3Si/c1-10-25-18-19(2)17-20(3)23(28-29(8,9)24(4,5)6)21(27-7)15-13-11-12-14-16-22(25)26/h13,15,17,20-21,23H,10-12,14,16,18H2,1-9H3/b15-13+,19-17-/t20-,21+,23+/m1/s1.

What are the key properties of (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-1-ethyl-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one?

(7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-1-ethyl-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one has a molecular weight of 423.71 g/mol, XLogP of 5.95, 4 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-1-ethyl-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one is sourced from PubChem (CID 71236132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).