N-hydroperoxy-N-silyloxyhexadecan-1-amine;methyl 2-[[5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylpentylidene]amino]acetate

C32H70N2O6Si2 — CID 158210837

IUPACN-hydroperoxy-N-silyloxyhexadecan-1-amine;methyl 2-[[5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylpentylidene]amino]acetate
SMILESCCCCCCCCCCCCCCCCN(OO)O[SiH3].COC(=O)C/N=C/CC(C)(C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33NO3Si.C16H37NO3Si/c1-15(2,3)21(7,8)20-12-10-16(4,5)9-11-17-13-14(18)19-6;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19-18)20-21/h11H,9-10,12-13H2,1-8H3;18H,2-16H2,1,21H3/b17-11+;
InChIKeyGCBCSQYFONQJDB-SJDTYFKWSA-N
MW635.09 g/mol
LogP8.44
Rot. Bonds25

About N-hydroperoxy-N-silyloxyhexadecan-1-amine;methyl 2-[[5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylpentylidene]amino]acetate

N-hydroperoxy-N-silyloxyhexadecan-1-amine;methyl 2-[[5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylpentylidene]amino]acetate (PubChem CID 158210837) has the molecular formula C32H70N2O6Si2 and a molecular weight of 635.09 g/mol. Its IUPAC name is N-hydroperoxy-N-silyloxyhexadecan-1-amine;methyl 2-[[5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylpentylidene]amino]acetate.

Molecular Properties

Compound NameN-hydroperoxy-N-silyloxyhexadecan-1-amine;methyl 2-[[5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylpentylidene]amino]acetate
PubChem CID158210837
Molecular FormulaC32H70N2O6Si2
Molecular Weight635.09 g/mol
Exact Mass634.48
IUPAC NameN-hydroperoxy-N-silyloxyhexadecan-1-amine;methyl 2-[[5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylpentylidene]amino]acetate
SMILESCCCCCCCCCCCCCCCCN(OO)O[SiH3].COC(=O)C/N=C/CC(C)(C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33NO3Si.C16H37NO3Si/c1-15(2,3)21(7,8)20-12-10-16(4,5)9-11-17-13-14(18)19-6;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19-18)20-21/h11H,9-10,12-13H2,1-8H3;18H,2-16H2,1,21H3/b17-11+;
InChIKeyGCBCSQYFONQJDB-SJDTYFKWSA-N
XLogP8.44
TPSA89.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds25
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.09
LogP ≤ 58.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylpentylidene]amino]acetate
CID 59249428
tert-butyl-hexacosoxy-dimethylsilane
CID 6430213
methyl 3,3-dimethylhenicosanoate
CID 575395
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxytetradecanoate
CID 58160475
methyl 5,5-dimethylundecanoate
CID 138647692
7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylheptan-1-ol
CID 21261679
5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3,3-dimethylpentanal
CID 86640420
tert-butyl-dimethyl-[(Z)-tetracos-15-enoxy]silane
CID 6430267
tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane
CID 6430269
tert-butyl-dimethyl-[(E)-octadec-6-enoxy]silane
CID 6430282
7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylheptan-2-one
CID 99768812
tert-butyl 2-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethylideneamino]acetate
CID 59249507

Frequently Asked Questions

What is the IUPAC name of N-hydroperoxy-N-silyloxyhexadecan-1-amine;methyl 2-[[5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylpentylidene]amino]acetate?
The IUPAC name of N-hydroperoxy-N-silyloxyhexadecan-1-amine;methyl 2-[[5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylpentylidene]amino]acetate (CID 158210837) is N-hydroperoxy-N-silyloxyhexadecan-1-amine;methyl 2-[[5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylpentylidene]amino]acetate.
What is the SMILES notation for N-hydroperoxy-N-silyloxyhexadecan-1-amine;methyl 2-[[5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylpentylidene]amino]acetate?
The canonical SMILES for N-hydroperoxy-N-silyloxyhexadecan-1-amine;methyl 2-[[5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylpentylidene]amino]acetate is CCCCCCCCCCCCCCCCN(OO)O[SiH3].COC(=O)C/N=C/CC(C)(C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-hydroperoxy-N-silyloxyhexadecan-1-amine;methyl 2-[[5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylpentylidene]amino]acetate?
The InChIKey is GCBCSQYFONQJDB-SJDTYFKWSA-N. The full InChI is InChI=1S/C16H33NO3Si.C16H37NO3Si/c1-15(2,3)21(7,8)20-12-10-16(4,5)9-11-17-13-14(18)19-6;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19-18)20-21/h11H,9-10,12-13H2,1-8H3;18H,2-16H2,1,21H3/b17-11+;.
What are the key properties of N-hydroperoxy-N-silyloxyhexadecan-1-amine;methyl 2-[[5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylpentylidene]amino]acetate?
N-hydroperoxy-N-silyloxyhexadecan-1-amine;methyl 2-[[5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylpentylidene]amino]acetate has a molecular weight of 635.09 g/mol, XLogP of 8.44, 25 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroperoxy-N-silyloxyhexadecan-1-amine;methyl 2-[[5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylpentylidene]amino]acetate is sourced from PubChem (CID 158210837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).