2-[8-[tert-butyl(dimethyl)silyl]oxyoctan-3-ylamino]ethyl acetate

C18H39NO3Si — CID 10904098

IUPAC2-[8-[tert-butyl(dimethyl)silyl]oxyoctan-3-ylamino]ethyl acetate
SMILESCCC(CCCCCO[Si](C)(C)C(C)(C)C)NCCOC(C)=O
InChIInChI=1S/C18H39NO3Si/c1-8-17(19-13-15-21-16(2)20)12-10-9-11-14-22-23(6,7)18(3,4)5/h17,19H,8-15H2,1-7H3
InChIKeyFNYMLRZTCLZMIM-UHFFFAOYSA-N
MW345.60 g/mol
LogP4.50
Rot. Bonds12

About 2-[8-[tert-butyl(dimethyl)silyl]oxyoctan-3-ylamino]ethyl acetate

2-[8-[tert-butyl(dimethyl)silyl]oxyoctan-3-ylamino]ethyl acetate (PubChem CID 10904098) has the molecular formula C18H39NO3Si and a molecular weight of 345.60 g/mol. Its IUPAC name is 2-[8-[tert-butyl(dimethyl)silyl]oxyoctan-3-ylamino]ethyl acetate.

Molecular Properties

Compound Name2-[8-[tert-butyl(dimethyl)silyl]oxyoctan-3-ylamino]ethyl acetate
PubChem CID10904098
Molecular FormulaC18H39NO3Si
Molecular Weight345.60 g/mol
Exact Mass345.27
IUPAC Name2-[8-[tert-butyl(dimethyl)silyl]oxyoctan-3-ylamino]ethyl acetate
SMILESCCC(CCCCCO[Si](C)(C)C(C)(C)C)NCCOC(C)=O
InChIInChI=1S/C18H39NO3Si/c1-8-17(19-13-15-21-16(2)20)12-10-9-11-14-22-23(6,7)18(3,4)5/h17,19H,8-15H2,1-7H3
InChIKeyFNYMLRZTCLZMIM-UHFFFAOYSA-N
XLogP4.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.60
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

7-[tert-butyl(dimethyl)silyl]oxyheptyl acetate
CID 102305322
2-(heptadecan-9-ylamino)ethyl acetate
CID 19824266
[(6S)-16-[tert-butyl(dimethyl)silyl]oxyhexadecan-6-yl] acetate
CID 10669508
5-[tert-butyl(dimethyl)silyl]oxypentyl 2-hexyldecanoate
CID 171051892
tert-butyl-dimethyl-(13-methylpentadecoxy)silane
CID 6430276
[6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyhexan-2-yl] acetate
CID 102354775
8-[tert-butyl(dimethyl)silyl]oxy-2-(methylamino)octanoic acid
CID 142782912
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
(4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one
CID 11380277
acetic acid;6-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
CID 71376160

Frequently Asked Questions

What is the IUPAC name of 2-[8-[tert-butyl(dimethyl)silyl]oxyoctan-3-ylamino]ethyl acetate?
The IUPAC name of 2-[8-[tert-butyl(dimethyl)silyl]oxyoctan-3-ylamino]ethyl acetate (CID 10904098) is 2-[8-[tert-butyl(dimethyl)silyl]oxyoctan-3-ylamino]ethyl acetate.
What is the SMILES notation for 2-[8-[tert-butyl(dimethyl)silyl]oxyoctan-3-ylamino]ethyl acetate?
The canonical SMILES for 2-[8-[tert-butyl(dimethyl)silyl]oxyoctan-3-ylamino]ethyl acetate is CCC(CCCCCO[Si](C)(C)C(C)(C)C)NCCOC(C)=O.
What is the InChIKey of 2-[8-[tert-butyl(dimethyl)silyl]oxyoctan-3-ylamino]ethyl acetate?
The InChIKey is FNYMLRZTCLZMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO3Si/c1-8-17(19-13-15-21-16(2)20)12-10-9-11-14-22-23(6,7)18(3,4)5/h17,19H,8-15H2,1-7H3.
What are the key properties of 2-[8-[tert-butyl(dimethyl)silyl]oxyoctan-3-ylamino]ethyl acetate?
2-[8-[tert-butyl(dimethyl)silyl]oxyoctan-3-ylamino]ethyl acetate has a molecular weight of 345.60 g/mol, XLogP of 4.50, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[tert-butyl(dimethyl)silyl]oxyoctan-3-ylamino]ethyl acetate is sourced from PubChem (CID 10904098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).