(3R,6Z,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxy-3,11-diethyl-7-methyl-1-azacyclotetradec-6-en-2-one

C24H47NO2Si — CID 10862470

IUPAC(3R,6Z,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxy-3,11-diethyl-7-methyl-1-azacyclotetradec-6-en-2-one
SMILESCC[C@@H]1CC/C=C(/C)CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CC)CCCNC1=O
InChIInChI=1S/C24H47NO2Si/c1-9-20-15-12-18-25-23(26)21(10-2)14-11-13-19(3)16-17-22(20)27-28(7,8)24(4,5)6/h13,20-22H,9-12,14-18H2,1-8H3,(H,25,26)/b19-13-/t20-,21-,22-/m1/s1
InChIKeyLYAQNEPOYBFZIM-GDWHEXJWSA-N
MW409.73 g/mol
LogP6.85
Rot. Bonds4

About (3R,6Z,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxy-3,11-diethyl-7-methyl-1-azacyclotetradec-6-en-2-one

(3R,6Z,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxy-3,11-diethyl-7-methyl-1-azacyclotetradec-6-en-2-one (PubChem CID 10862470) has the molecular formula C24H47NO2Si and a molecular weight of 409.73 g/mol. Its IUPAC name is (3R,6Z,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxy-3,11-diethyl-7-methyl-1-azacyclotetradec-6-en-2-one.

Molecular Properties

Compound Name(3R,6Z,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxy-3,11-diethyl-7-methyl-1-azacyclotetradec-6-en-2-one
PubChem CID10862470
Molecular FormulaC24H47NO2Si
Molecular Weight409.73 g/mol
Exact Mass409.34
IUPAC Name(3R,6Z,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxy-3,11-diethyl-7-methyl-1-azacyclotetradec-6-en-2-one
SMILESCC[C@@H]1CC/C=C(/C)CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CC)CCCNC1=O
InChIInChI=1S/C24H47NO2Si/c1-9-20-15-12-18-25-23(26)21(10-2)14-11-13-19(3)16-17-22(20)27-28(7,8)24(4,5)6/h13,20-22H,9-12,14-18H2,1-8H3,(H,25,26)/b19-13-/t20-,21-,22-/m1/s1
InChIKeyLYAQNEPOYBFZIM-GDWHEXJWSA-N
XLogP6.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.73
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,6Z,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxy-3,11-diethyl-7-methyl-1-azacyclotetradec-6-en-2-one?
The IUPAC name of (3R,6Z,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxy-3,11-diethyl-7-methyl-1-azacyclotetradec-6-en-2-one (CID 10862470) is (3R,6Z,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxy-3,11-diethyl-7-methyl-1-azacyclotetradec-6-en-2-one.
What is the SMILES notation for (3R,6Z,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxy-3,11-diethyl-7-methyl-1-azacyclotetradec-6-en-2-one?
The canonical SMILES for (3R,6Z,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxy-3,11-diethyl-7-methyl-1-azacyclotetradec-6-en-2-one is CC[C@@H]1CC/C=C(/C)CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CC)CCCNC1=O.
What is the InChIKey of (3R,6Z,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxy-3,11-diethyl-7-methyl-1-azacyclotetradec-6-en-2-one?
The InChIKey is LYAQNEPOYBFZIM-GDWHEXJWSA-N. The full InChI is InChI=1S/C24H47NO2Si/c1-9-20-15-12-18-25-23(26)21(10-2)14-11-13-19(3)16-17-22(20)27-28(7,8)24(4,5)6/h13,20-22H,9-12,14-18H2,1-8H3,(H,25,26)/b19-13-/t20-,21-,22-/m1/s1.
What are the key properties of (3R,6Z,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxy-3,11-diethyl-7-methyl-1-azacyclotetradec-6-en-2-one?
(3R,6Z,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxy-3,11-diethyl-7-methyl-1-azacyclotetradec-6-en-2-one has a molecular weight of 409.73 g/mol, XLogP of 6.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6Z,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxy-3,11-diethyl-7-methyl-1-azacyclotetradec-6-en-2-one is sourced from PubChem (CID 10862470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).