tert-butyl-[[(3Z,5R,6S,7S,8E)-1-ethyl-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-yl]oxy]-dimethylsilane

C24H47NO2Si — CID 71236130

IUPACtert-butyl-[[(3Z,5R,6S,7S,8E)-1-ethyl-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-yl]oxy]-dimethylsilane
SMILESCCN1CCCCC/C=C/[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(/C)C1
InChIInChI=1S/C24H47NO2Si/c1-10-25-17-15-13-11-12-14-16-22(26-7)23(21(3)18-20(2)19-25)27-28(8,9)24(4,5)6/h14,16,18,21-23H,10-13,15,17,19H2,1-9H3/b16-14+,20-18-/t21-,22+,23+/m1/s1
InChIKeyKEGFWDZTQFPJHU-IHTZQLBUSA-N
MW409.73 g/mol
LogP6.43
Rot. Bonds4

About tert-butyl-[[(3Z,5R,6S,7S,8E)-1-ethyl-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-yl]oxy]-dimethylsilane

tert-butyl-[[(3Z,5R,6S,7S,8E)-1-ethyl-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-yl]oxy]-dimethylsilane (PubChem CID 71236130) has the molecular formula C24H47NO2Si and a molecular weight of 409.73 g/mol. Its IUPAC name is tert-butyl-[[(3Z,5R,6S,7S,8E)-1-ethyl-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(3Z,5R,6S,7S,8E)-1-ethyl-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-yl]oxy]-dimethylsilane
PubChem CID71236130
Molecular FormulaC24H47NO2Si
Molecular Weight409.73 g/mol
Exact Mass409.34
IUPAC Nametert-butyl-[[(3Z,5R,6S,7S,8E)-1-ethyl-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-yl]oxy]-dimethylsilane
SMILESCCN1CCCCC/C=C/[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(/C)C1
InChIInChI=1S/C24H47NO2Si/c1-10-25-17-15-13-11-12-14-16-22(26-7)23(21(3)18-20(2)19-25)27-28(8,9)24(4,5)6/h14,16,18,21-23H,10-13,15,17,19H2,1-9H3/b16-14+,20-18-/t21-,22+,23+/m1/s1
InChIKeyKEGFWDZTQFPJHU-IHTZQLBUSA-N
XLogP6.43
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.73
LogP ≤ 56.43
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(3Z,5R,6S,7S,8E)-1-ethyl-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(3Z,5R,6S,7S,8E)-1-ethyl-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-yl]oxy]-dimethylsilane (CID 71236130) is tert-butyl-[[(3Z,5R,6S,7S,8E)-1-ethyl-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(3Z,5R,6S,7S,8E)-1-ethyl-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(3Z,5R,6S,7S,8E)-1-ethyl-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-yl]oxy]-dimethylsilane is CCN1CCCCC/C=C/[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(/C)C1.
What is the InChIKey of tert-butyl-[[(3Z,5R,6S,7S,8E)-1-ethyl-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-yl]oxy]-dimethylsilane?
The InChIKey is KEGFWDZTQFPJHU-IHTZQLBUSA-N. The full InChI is InChI=1S/C24H47NO2Si/c1-10-25-17-15-13-11-12-14-16-22(26-7)23(21(3)18-20(2)19-25)27-28(8,9)24(4,5)6/h14,16,18,21-23H,10-13,15,17,19H2,1-9H3/b16-14+,20-18-/t21-,22+,23+/m1/s1.
What are the key properties of tert-butyl-[[(3Z,5R,6S,7S,8E)-1-ethyl-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-yl]oxy]-dimethylsilane?
tert-butyl-[[(3Z,5R,6S,7S,8E)-1-ethyl-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-yl]oxy]-dimethylsilane has a molecular weight of 409.73 g/mol, XLogP of 6.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(3Z,5R,6S,7S,8E)-1-ethyl-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-yl]oxy]-dimethylsilane is sourced from PubChem (CID 71236130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).