6-amino-1-triethoxysilylhexan-2-one

C12H27NO4Si — CID 91383810

IUPAC6-amino-1-triethoxysilylhexan-2-one
SMILESCCO[Si](CC(=O)CCCCN)(OCC)OCC
InChIInChI=1S/C12H27NO4Si/c1-4-15-18(16-5-2,17-6-3)11-12(14)9-7-8-10-13/h4-11,13H2,1-3H3
InChIKeyIAFOZHBAYULISX-UHFFFAOYSA-N
MW277.44 g/mol
LogP1.73
Rot. Bonds12

About 6-amino-1-triethoxysilylhexan-2-one

6-amino-1-triethoxysilylhexan-2-one (PubChem CID 91383810) has the molecular formula C12H27NO4Si and a molecular weight of 277.44 g/mol. Its IUPAC name is 6-amino-1-triethoxysilylhexan-2-one.

Molecular Properties

Compound Name6-amino-1-triethoxysilylhexan-2-one
PubChem CID91383810
Molecular FormulaC12H27NO4Si
Molecular Weight277.44 g/mol
Exact Mass277.17
IUPAC Name6-amino-1-triethoxysilylhexan-2-one
SMILESCCO[Si](CC(=O)CCCCN)(OCC)OCC
InChIInChI=1S/C12H27NO4Si/c1-4-15-18(16-5-2,17-6-3)11-12(14)9-7-8-10-13/h4-11,13H2,1-3H3
InChIKeyIAFOZHBAYULISX-UHFFFAOYSA-N
XLogP1.73
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 51.73
H-Bond Donors ≤ 51
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

1,9-bis(triethoxysilyl)nonan-5-one
CID 158928265
14-aminotetradecan-3-one
CID 178176766
36-triethoxysilylhexatriacontan-1-amine
CID 87683625
8-aminooctan-4-one
CID 25202394
ethyl carbamate;3-triethoxysilylpropan-1-amine
CID 90205560
8-triethoxysilyloctanethioic S-acid
CID 87672935
8-[diethoxy(methoxy)silyl]octan-4-one
CID 162505528
12-triethoxysilyldodecan-1-amine;hydrochloride
CID 175579282
sulfuric acid;3-triethoxysilylpropan-1-amine
CID 172732865
1-triethoxysilylpropan-2-one
CID 174838810
30-triethoxysilyltriacontanoic acid
CID 87687022
11-triethoxysilylundecanoic acid
CID 22725829

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-triethoxysilylhexan-2-one?
The IUPAC name of 6-amino-1-triethoxysilylhexan-2-one (CID 91383810) is 6-amino-1-triethoxysilylhexan-2-one.
What is the SMILES notation for 6-amino-1-triethoxysilylhexan-2-one?
The canonical SMILES for 6-amino-1-triethoxysilylhexan-2-one is CCO[Si](CC(=O)CCCCN)(OCC)OCC.
What is the InChIKey of 6-amino-1-triethoxysilylhexan-2-one?
The InChIKey is IAFOZHBAYULISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO4Si/c1-4-15-18(16-5-2,17-6-3)11-12(14)9-7-8-10-13/h4-11,13H2,1-3H3.
What are the key properties of 6-amino-1-triethoxysilylhexan-2-one?
6-amino-1-triethoxysilylhexan-2-one has a molecular weight of 277.44 g/mol, XLogP of 1.73, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-triethoxysilylhexan-2-one is sourced from PubChem (CID 91383810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).