N-[tert-butyl(dimethyl)silyl]oxyhexadecan-1-imine

C22H47NOSi — CID 91751672

IUPACN-[tert-butyl(dimethyl)silyl]oxyhexadecan-1-imine
SMILESCCCCCCCCCCCCCCCC=NO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H47NOSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24-25(5,6)22(2,3)4/h21H,7-20H2,1-6H3
InChIKeyBWWODMSOGHATPG-UHFFFAOYSA-N
MW369.71 g/mol
LogP8.48
Rot. Bonds16

About N-[tert-butyl(dimethyl)silyl]oxyhexadecan-1-imine

N-[tert-butyl(dimethyl)silyl]oxyhexadecan-1-imine (PubChem CID 91751672) has the molecular formula C22H47NOSi and a molecular weight of 369.71 g/mol. Its IUPAC name is N-[tert-butyl(dimethyl)silyl]oxyhexadecan-1-imine.

Molecular Properties

Compound NameN-[tert-butyl(dimethyl)silyl]oxyhexadecan-1-imine
PubChem CID91751672
Molecular FormulaC22H47NOSi
Molecular Weight369.71 g/mol
Exact Mass369.34
IUPAC NameN-[tert-butyl(dimethyl)silyl]oxyhexadecan-1-imine
SMILESCCCCCCCCCCCCCCCC=NO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H47NOSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24-25(5,6)22(2,3)4/h21H,7-20H2,1-6H3
InChIKeyBWWODMSOGHATPG-UHFFFAOYSA-N
XLogP8.48
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.71
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

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
(NE)-N-octylidenehydroxylamine
CID 5385260
tert-butyl-hexacosoxy-dimethylsilane
CID 6430213
N-[tert-butyl(dimethyl)silyl]oxyhexan-1-imine oxide
CID 12731070
N-(pentadecylideneamino)pentadecan-1-imine
CID 88831518
[tert-butyl(dimethyl)silyl] (E)-octadec-11-enoate
CID 91743170
(E)-N,N'-dihexoxyethane-1,2-diimine
CID 174854419
(nonylideneamino) acetate
CID 90921224
N-methyloctadecan-1-imine
CID 54409483
7-trimethylsilyloxyiminoheptanenitrile
CID 140887661

Frequently Asked Questions

What is the IUPAC name of N-[tert-butyl(dimethyl)silyl]oxyhexadecan-1-imine?
The IUPAC name of N-[tert-butyl(dimethyl)silyl]oxyhexadecan-1-imine (CID 91751672) is N-[tert-butyl(dimethyl)silyl]oxyhexadecan-1-imine.
What is the SMILES notation for N-[tert-butyl(dimethyl)silyl]oxyhexadecan-1-imine?
The canonical SMILES for N-[tert-butyl(dimethyl)silyl]oxyhexadecan-1-imine is CCCCCCCCCCCCCCCC=NO[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-[tert-butyl(dimethyl)silyl]oxyhexadecan-1-imine?
The InChIKey is BWWODMSOGHATPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47NOSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24-25(5,6)22(2,3)4/h21H,7-20H2,1-6H3.
What are the key properties of N-[tert-butyl(dimethyl)silyl]oxyhexadecan-1-imine?
N-[tert-butyl(dimethyl)silyl]oxyhexadecan-1-imine has a molecular weight of 369.71 g/mol, XLogP of 8.48, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butyl(dimethyl)silyl]oxyhexadecan-1-imine is sourced from PubChem (CID 91751672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).