(NZ)-N-[(Z,4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(1R,4S,6R)-6-(methoxymethoxy)-4-(methoxymethyl)cyclohex-2-en-1-yl]but-2-enylidene]hydroxylamine

C30H41NO5Si — CID 11649363

IUPAC(NZ)-N-[(Z,4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(1R,4S,6R)-6-(methoxymethoxy)-4-(methoxymethyl)cyclohex-2-en-1-yl]but-2-enylidene]hydroxylamine
SMILESCOCO[C@@H]1C[C@H](COC)C=C[C@H]1[C@@H](/C=C\C=N/O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H41NO5Si/c1-30(2,3)37(25-13-8-6-9-14-25,26-15-10-7-11-16-26)36-28(17-12-20-31-32)27-19-18-24(22-33-4)21-29(27)35-23-34-5/h6-20,24,27-29,32H,21-23H2,1-5H3/b17-12-,31-20-/t24-,27+,28-,29-/m1/s1
InChIKeyRJYHVPZTKSIODW-SEGKOYOSSA-N
MW523.75 g/mol
LogP4.78
Rot. Bonds12

About (NZ)-N-[(Z,4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(1R,4S,6R)-6-(methoxymethoxy)-4-(methoxymethyl)cyclohex-2-en-1-yl]but-2-enylidene]hydroxylamine

(NZ)-N-[(Z,4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(1R,4S,6R)-6-(methoxymethoxy)-4-(methoxymethyl)cyclohex-2-en-1-yl]but-2-enylidene]hydroxylamine (PubChem CID 11649363) has the molecular formula C30H41NO5Si and a molecular weight of 523.75 g/mol. Its IUPAC name is (NZ)-N-[(Z,4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(1R,4S,6R)-6-(methoxymethoxy)-4-(methoxymethyl)cyclohex-2-en-1-yl]but-2-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(Z,4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(1R,4S,6R)-6-(methoxymethoxy)-4-(methoxymethyl)cyclohex-2-en-1-yl]but-2-enylidene]hydroxylamine
PubChem CID11649363
Molecular FormulaC30H41NO5Si
Molecular Weight523.75 g/mol
Exact Mass523.28
IUPAC Name(NZ)-N-[(Z,4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(1R,4S,6R)-6-(methoxymethoxy)-4-(methoxymethyl)cyclohex-2-en-1-yl]but-2-enylidene]hydroxylamine
SMILESCOCO[C@@H]1C[C@H](COC)C=C[C@H]1[C@@H](/C=C\C=N/O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H41NO5Si/c1-30(2,3)37(25-13-8-6-9-14-25,26-15-10-7-11-16-26)36-28(17-12-20-31-32)27-19-18-24(22-33-4)21-29(27)35-23-34-5/h6-20,24,27-29,32H,21-23H2,1-5H3/b17-12-,31-20-/t24-,27+,28-,29-/m1/s1
InChIKeyRJYHVPZTKSIODW-SEGKOYOSSA-N
XLogP4.78
TPSA69.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.75
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

Analyze (NZ)-N-[(Z,4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(1R,4S,6R)-6-(methoxymethoxy)-4-(methoxymethyl)cyclohex-2-en-1-yl]but-2-enylidene]hydroxylamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(Z,4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(1R,4S,6R)-6-(methoxymethoxy)-4-(methoxymethyl)cyclohex-2-en-1-yl]but-2-enylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(Z,4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(1R,4S,6R)-6-(methoxymethoxy)-4-(methoxymethyl)cyclohex-2-en-1-yl]but-2-enylidene]hydroxylamine (CID 11649363) is (NZ)-N-[(Z,4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(1R,4S,6R)-6-(methoxymethoxy)-4-(methoxymethyl)cyclohex-2-en-1-yl]but-2-enylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(Z,4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(1R,4S,6R)-6-(methoxymethoxy)-4-(methoxymethyl)cyclohex-2-en-1-yl]but-2-enylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(Z,4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(1R,4S,6R)-6-(methoxymethoxy)-4-(methoxymethyl)cyclohex-2-en-1-yl]but-2-enylidene]hydroxylamine is COCO[C@@H]1C[C@H](COC)C=C[C@H]1[C@@H](/C=C\C=N/O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (NZ)-N-[(Z,4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(1R,4S,6R)-6-(methoxymethoxy)-4-(methoxymethyl)cyclohex-2-en-1-yl]but-2-enylidene]hydroxylamine?
The InChIKey is RJYHVPZTKSIODW-SEGKOYOSSA-N. The full InChI is InChI=1S/C30H41NO5Si/c1-30(2,3)37(25-13-8-6-9-14-25,26-15-10-7-11-16-26)36-28(17-12-20-31-32)27-19-18-24(22-33-4)21-29(27)35-23-34-5/h6-20,24,27-29,32H,21-23H2,1-5H3/b17-12-,31-20-/t24-,27+,28-,29-/m1/s1.
What are the key properties of (NZ)-N-[(Z,4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(1R,4S,6R)-6-(methoxymethoxy)-4-(methoxymethyl)cyclohex-2-en-1-yl]but-2-enylidene]hydroxylamine?
(NZ)-N-[(Z,4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(1R,4S,6R)-6-(methoxymethoxy)-4-(methoxymethyl)cyclohex-2-en-1-yl]but-2-enylidene]hydroxylamine has a molecular weight of 523.75 g/mol, XLogP of 4.78, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(Z,4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(1R,4S,6R)-6-(methoxymethoxy)-4-(methoxymethyl)cyclohex-2-en-1-yl]but-2-enylidene]hydroxylamine is sourced from PubChem (CID 11649363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).