decane;methane;2-[methyl(3-oxododecyl)amino]ethyl acetate;trimethyl(trimethylsilyloxy)silane

C39H97NO4Si2 — CID 157375322

IUPACdecane;methane;2-[methyl(3-oxododecyl)amino]ethyl acetate;trimethyl(trimethylsilyloxy)silane
SMILESC.C.C.C.C.C.CCCCCCCCCC.CCCCCCCCCC(=O)CCN(C)CCOC(C)=O.C[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C17H33NO3.C10H22.C6H18OSi2.6CH4/c1-4-5-6-7-8-9-10-11-17(20)12-13-18(3)14-15-21-16(2)19;1-3-5-7-9-10-8-6-4-2;1-8(2,3)7-9(4,5)6;;;;;;/h4-15H2,1-3H3;3-10H2,1-2H3;1-6H3;6*1H4
InChIKeyBKGKXGDQWYOGLG-UHFFFAOYSA-N
MW700.38 g/mol
LogP14.22
Rot. Bonds23

About decane;methane;2-[methyl(3-oxododecyl)amino]ethyl acetate;trimethyl(trimethylsilyloxy)silane

decane;methane;2-[methyl(3-oxododecyl)amino]ethyl acetate;trimethyl(trimethylsilyloxy)silane (PubChem CID 157375322) has the molecular formula C39H97NO4Si2 and a molecular weight of 700.38 g/mol. Its IUPAC name is decane;methane;2-[methyl(3-oxododecyl)amino]ethyl acetate;trimethyl(trimethylsilyloxy)silane.

Molecular Properties

Compound Namedecane;methane;2-[methyl(3-oxododecyl)amino]ethyl acetate;trimethyl(trimethylsilyloxy)silane
PubChem CID157375322
Molecular FormulaC39H97NO4Si2
Molecular Weight700.38 g/mol
Exact Mass699.70
IUPAC Namedecane;methane;2-[methyl(3-oxododecyl)amino]ethyl acetate;trimethyl(trimethylsilyloxy)silane
SMILESC.C.C.C.C.C.CCCCCCCCCC.CCCCCCCCCC(=O)CCN(C)CCOC(C)=O.C[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C17H33NO3.C10H22.C6H18OSi2.6CH4/c1-4-5-6-7-8-9-10-11-17(20)12-13-18(3)14-15-21-16(2)19;1-3-5-7-9-10-8-6-4-2;1-8(2,3)7-9(4,5)6;;;;;;/h4-15H2,1-3H3;3-10H2,1-2H3;1-6H3;6*1H4
InChIKeyBKGKXGDQWYOGLG-UHFFFAOYSA-N
XLogP14.22
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds23
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.38
LogP ≤ 514.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-[methyl(3-oxooctadecyl)amino]octadecan-3-one
CID 141082877
ethane;2-[methyl(propyl)amino]ethyl acetate
CID 143043646
1-[2-[2-[methyl-[2-[2-(3-oxooctoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]octan-3-one
CID 163930166
6-oxononyl acetate
CID 121216271
2-[2-(dimethylamino)ethyl-methylamino]ethyl pentadecanoate
CID 118631053
1-(dimethylamino)nonan-3-one
CID 115345762
2-acetyloxyethyl hexanoate
CID 21336001
1-(dimethylamino)nonadecan-3-one;hydrochloride
CID 160791865
pentadecyl 3-[bis(2-acetyloxyethyl)amino]propanoate
CID 13007527
octane;propyl acetate
CID 174786724
2-acetyloxyethyl acetate;hexane
CID 137406148
2-[methyl-[2-[(Z)-octadec-9-enoyl]oxyethyl]amino]ethyl (Z)-octadec-9-enoate;hydrochloride
CID 173188772

Frequently Asked Questions

What is the IUPAC name of decane;methane;2-[methyl(3-oxododecyl)amino]ethyl acetate;trimethyl(trimethylsilyloxy)silane?
The IUPAC name of decane;methane;2-[methyl(3-oxododecyl)amino]ethyl acetate;trimethyl(trimethylsilyloxy)silane (CID 157375322) is decane;methane;2-[methyl(3-oxododecyl)amino]ethyl acetate;trimethyl(trimethylsilyloxy)silane.
What is the SMILES notation for decane;methane;2-[methyl(3-oxododecyl)amino]ethyl acetate;trimethyl(trimethylsilyloxy)silane?
The canonical SMILES for decane;methane;2-[methyl(3-oxododecyl)amino]ethyl acetate;trimethyl(trimethylsilyloxy)silane is C.C.C.C.C.C.CCCCCCCCCC.CCCCCCCCCC(=O)CCN(C)CCOC(C)=O.C[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of decane;methane;2-[methyl(3-oxododecyl)amino]ethyl acetate;trimethyl(trimethylsilyloxy)silane?
The InChIKey is BKGKXGDQWYOGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3.C10H22.C6H18OSi2.6CH4/c1-4-5-6-7-8-9-10-11-17(20)12-13-18(3)14-15-21-16(2)19;1-3-5-7-9-10-8-6-4-2;1-8(2,3)7-9(4,5)6;;;;;;/h4-15H2,1-3H3;3-10H2,1-2H3;1-6H3;6*1H4.
What are the key properties of decane;methane;2-[methyl(3-oxododecyl)amino]ethyl acetate;trimethyl(trimethylsilyloxy)silane?
decane;methane;2-[methyl(3-oxododecyl)amino]ethyl acetate;trimethyl(trimethylsilyloxy)silane has a molecular weight of 700.38 g/mol, XLogP of 14.22, 23 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for decane;methane;2-[methyl(3-oxododecyl)amino]ethyl acetate;trimethyl(trimethylsilyloxy)silane is sourced from PubChem (CID 157375322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).