(NE)-N-[(2R,3R)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]hydroxylamine

C16H33NO2Si — CID 25178808

IUPAC(NE)-N-[(2R,3R)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]hydroxylamine
SMILESCCCC[C@@H]1/C(=N/O)CCC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33NO2Si/c1-7-8-10-13-14(17-18)11-9-12-15(13)19-20(5,6)16(2,3)4/h13,15,18H,7-12H2,1-6H3/b17-14+/t13-,15-/m1/s1
InChIKeyZWXYHWRWJKNLRG-PYJPSCCVSA-N
MW299.53 g/mol
LogP5.20
Rot. Bonds5

About (NE)-N-[(2R,3R)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]hydroxylamine

(NE)-N-[(2R,3R)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]hydroxylamine (PubChem CID 25178808) has the molecular formula C16H33NO2Si and a molecular weight of 299.53 g/mol. Its IUPAC name is (NE)-N-[(2R,3R)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2R,3R)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]hydroxylamine
PubChem CID25178808
Molecular FormulaC16H33NO2Si
Molecular Weight299.53 g/mol
Exact Mass299.23
IUPAC Name(NE)-N-[(2R,3R)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]hydroxylamine
SMILESCCCC[C@@H]1/C(=N/O)CCC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33NO2Si/c1-7-8-10-13-14(17-18)11-9-12-15(13)19-20(5,6)16(2,3)4/h13,15,18H,7-12H2,1-6H3/b17-14+/t13-,15-/m1/s1
InChIKeyZWXYHWRWJKNLRG-PYJPSCCVSA-N
XLogP5.20
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.53
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propan-1-ol
CID 70178632
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane
CID 158464609
(6R,10S,11S)-11-butyl-10-[tert-butyl(dimethyl)silyl]oxy-1-azaspiro[5.5]undecan-2-one
CID 132606609
(NE)-N-[(2S,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(trimethylsilylmethylidene)cyclopentylidene]hydroxylamine
CID 11068243
[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]methanol
CID 10709517
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-ol
CID 129404592
[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol
CID 170904845
[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol
CID 170904797
tert-butyl-(6-butyl-4-methylpiperidin-3-yl)oxy-dimethylsilane
CID 154447813
tert-butyl-dimethyl-(3-tributylstannylcyclopent-2-en-1-yl)oxysilane
CID 15630112
tert-butyl-dimethyl-[(2R,3S)-2-methyloxan-3-yl]oxysilane
CID 135079146
N-(2-dodecylcyclohexylidene)hydroxylamine
CID 2729436

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2R,3R)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2R,3R)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]hydroxylamine (CID 25178808) is (NE)-N-[(2R,3R)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2R,3R)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2R,3R)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]hydroxylamine is CCCC[C@@H]1/C(=N/O)CCC[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (NE)-N-[(2R,3R)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]hydroxylamine?
The InChIKey is ZWXYHWRWJKNLRG-PYJPSCCVSA-N. The full InChI is InChI=1S/C16H33NO2Si/c1-7-8-10-13-14(17-18)11-9-12-15(13)19-20(5,6)16(2,3)4/h13,15,18H,7-12H2,1-6H3/b17-14+/t13-,15-/m1/s1.
What are the key properties of (NE)-N-[(2R,3R)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]hydroxylamine?
(NE)-N-[(2R,3R)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]hydroxylamine has a molecular weight of 299.53 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2R,3R)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]hydroxylamine is sourced from PubChem (CID 25178808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).