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

C12H27NO2Si — CID 12731070

IUPACN-[tert-butyl(dimethyl)silyl]oxyhexan-1-imine oxide
SMILESCCCCC/C=[N+](\[O-])O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H27NO2Si/c1-7-8-9-10-11-13(14)15-16(5,6)12(2,3)4/h11H,7-10H2,1-6H3/b13-11+
InChIKeyZUUIVXNUQSEOEW-ACCUITESSA-N
MW245.44 g/mol
LogP4.08
Rot. Bonds6

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

N-[tert-butyl(dimethyl)silyl]oxyhexan-1-imine oxide (PubChem CID 12731070) has the molecular formula C12H27NO2Si and a molecular weight of 245.44 g/mol. Its IUPAC name is N-[tert-butyl(dimethyl)silyl]oxyhexan-1-imine oxide.

Molecular Properties

Compound NameN-[tert-butyl(dimethyl)silyl]oxyhexan-1-imine oxide
PubChem CID12731070
Molecular FormulaC12H27NO2Si
Molecular Weight245.44 g/mol
Exact Mass245.18
IUPAC NameN-[tert-butyl(dimethyl)silyl]oxyhexan-1-imine oxide
SMILESCCCCC/C=[N+](\[O-])O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H27NO2Si/c1-7-8-9-10-11-13(14)15-16(5,6)12(2,3)4/h11H,7-10H2,1-6H3/b13-11+
InChIKeyZUUIVXNUQSEOEW-ACCUITESSA-N
XLogP4.08
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.44
LogP ≤ 54.08
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

N-[tert-butyl(dimethyl)silyl]oxypropan-1-imine oxide
CID 57353504
N-octyloctadecan-1-imine oxide
CID 139612531
N-hexadecyloctadecan-1-imine oxide
CID 85061189
N-pentadecylnonadecan-1-imine oxide
CID 87184574
tert-butyl-dimethyl-[(E)-octadec-6-enoxy]silane
CID 6430282
tert-butyl-dimethyl-[(Z)-tetracos-15-enoxy]silane
CID 6430267
tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane
CID 6430269
N-[tert-butyl(dimethyl)silyl]oxyhexadecan-1-imine
CID 91751672
tert-butyl-hexacosoxy-dimethylsilane
CID 6430213
[tert-butyl(dimethyl)silyl] (E)-octadec-11-enoate
CID 91743170
tert-butyl-dimethyl-[(Z)-tetradec-8-en-3-ynoxy]silane
CID 134841889
(E)-1-[tert-butyl(dimethyl)silyl]oxyundec-5-en-2-ol
CID 100961334

Frequently Asked Questions

What is the IUPAC name of N-[tert-butyl(dimethyl)silyl]oxyhexan-1-imine oxide?
The IUPAC name of N-[tert-butyl(dimethyl)silyl]oxyhexan-1-imine oxide (CID 12731070) is N-[tert-butyl(dimethyl)silyl]oxyhexan-1-imine oxide.
What is the SMILES notation for N-[tert-butyl(dimethyl)silyl]oxyhexan-1-imine oxide?
The canonical SMILES for N-[tert-butyl(dimethyl)silyl]oxyhexan-1-imine oxide is CCCCC/C=[N+](\[O-])O[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-[tert-butyl(dimethyl)silyl]oxyhexan-1-imine oxide?
The InChIKey is ZUUIVXNUQSEOEW-ACCUITESSA-N. The full InChI is InChI=1S/C12H27NO2Si/c1-7-8-9-10-11-13(14)15-16(5,6)12(2,3)4/h11H,7-10H2,1-6H3/b13-11+.
What are the key properties of N-[tert-butyl(dimethyl)silyl]oxyhexan-1-imine oxide?
N-[tert-butyl(dimethyl)silyl]oxyhexan-1-imine oxide has a molecular weight of 245.44 g/mol, XLogP of 4.08, 6 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]oxyhexan-1-imine oxide is sourced from PubChem (CID 12731070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).