(Z)-N-[[(E)-hex-2-enoxy]-di(propan-2-yl)silyl]oxy-2-nitro-1-phenylethanimine

C20H32N2O4Si — CID 177408705

IUPAC(Z)-N-[[(E)-hex-2-enoxy]-di(propan-2-yl)silyl]oxy-2-nitro-1-phenylethanimine
SMILESCCC/C=C/CO[Si](O/N=C(\C[N+](=O)[O-])c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C20H32N2O4Si/c1-6-7-8-12-15-25-27(17(2)3,18(4)5)26-21-20(16-22(23)24)19-13-10-9-11-14-19/h8-14,17-18H,6-7,15-16H2,1-5H3/b12-8+,21-20+
InChIKeyBXZLLSNTECKEKT-DDRVOQTJSA-N
MW392.57 g/mol
LogP5.32
Rot. Bonds12

About (Z)-N-[[(E)-hex-2-enoxy]-di(propan-2-yl)silyl]oxy-2-nitro-1-phenylethanimine

(Z)-N-[[(E)-hex-2-enoxy]-di(propan-2-yl)silyl]oxy-2-nitro-1-phenylethanimine (PubChem CID 177408705) has the molecular formula C20H32N2O4Si and a molecular weight of 392.57 g/mol. Its IUPAC name is (Z)-N-[[(E)-hex-2-enoxy]-di(propan-2-yl)silyl]oxy-2-nitro-1-phenylethanimine.

Molecular Properties

Compound Name(Z)-N-[[(E)-hex-2-enoxy]-di(propan-2-yl)silyl]oxy-2-nitro-1-phenylethanimine
PubChem CID177408705
Molecular FormulaC20H32N2O4Si
Molecular Weight392.57 g/mol
Exact Mass392.21
IUPAC Name(Z)-N-[[(E)-hex-2-enoxy]-di(propan-2-yl)silyl]oxy-2-nitro-1-phenylethanimine
SMILESCCC/C=C/CO[Si](O/N=C(\C[N+](=O)[O-])c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C20H32N2O4Si/c1-6-7-8-12-15-25-27(17(2)3,18(4)5)26-21-20(16-22(23)24)19-13-10-9-11-14-19/h8-14,17-18H,6-7,15-16H2,1-5H3/b12-8+,21-20+
InChIKeyBXZLLSNTECKEKT-DDRVOQTJSA-N
XLogP5.32
TPSA73.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.57
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-(2-nitro-1-phenylethylidene)amino] 2,2-dimethylpropanoate
CID 164670763
(Z)-(2-nitro-1-phenylethylidene)hydrazine
CID 129410333
[(Z)-hex-2-enyl] 2-oxo-2-phenylacetate
CID 15312626
(E)-2-methyl-1-phenylhept-3-en-1-one
CID 102481541
1,4-diphenyl-4-trimethylsilyloxyiminobutan-1-one
CID 88532056
tetrakis(hex-2-enyl) silicate
CID 54207943
2-hex-2-enoxyphenol
CID 57375343
2-[(E)-hex-2-enoxy]benzoic acid
CID 15321685
bis[(Z)-hex-2-enyl] 2,3-dihydroxy-2,3-diphenylbutanedioate
CID 10600292
(NZ)-N-(2-nitro-1-phenylpropylidene)hydroxylamine
CID 172934456
[(3-ethyl-1-phenylpentylidene)amino] phosphate
CID 57375139
[(E)-1-oxo-1-phenylhept-3-en-2-yl] acetate
CID 15652317

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[[(E)-hex-2-enoxy]-di(propan-2-yl)silyl]oxy-2-nitro-1-phenylethanimine?
The IUPAC name of (Z)-N-[[(E)-hex-2-enoxy]-di(propan-2-yl)silyl]oxy-2-nitro-1-phenylethanimine (CID 177408705) is (Z)-N-[[(E)-hex-2-enoxy]-di(propan-2-yl)silyl]oxy-2-nitro-1-phenylethanimine.
What is the SMILES notation for (Z)-N-[[(E)-hex-2-enoxy]-di(propan-2-yl)silyl]oxy-2-nitro-1-phenylethanimine?
The canonical SMILES for (Z)-N-[[(E)-hex-2-enoxy]-di(propan-2-yl)silyl]oxy-2-nitro-1-phenylethanimine is CCC/C=C/CO[Si](O/N=C(\C[N+](=O)[O-])c1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of (Z)-N-[[(E)-hex-2-enoxy]-di(propan-2-yl)silyl]oxy-2-nitro-1-phenylethanimine?
The InChIKey is BXZLLSNTECKEKT-DDRVOQTJSA-N. The full InChI is InChI=1S/C20H32N2O4Si/c1-6-7-8-12-15-25-27(17(2)3,18(4)5)26-21-20(16-22(23)24)19-13-10-9-11-14-19/h8-14,17-18H,6-7,15-16H2,1-5H3/b12-8+,21-20+.
What are the key properties of (Z)-N-[[(E)-hex-2-enoxy]-di(propan-2-yl)silyl]oxy-2-nitro-1-phenylethanimine?
(Z)-N-[[(E)-hex-2-enoxy]-di(propan-2-yl)silyl]oxy-2-nitro-1-phenylethanimine has a molecular weight of 392.57 g/mol, XLogP of 5.32, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[[(E)-hex-2-enoxy]-di(propan-2-yl)silyl]oxy-2-nitro-1-phenylethanimine is sourced from PubChem (CID 177408705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).