6-amino-4-[diethoxy(methyl)silyl]-2-methylhex-1-en-3-one

C12H25NO3Si — CID 87328231

IUPAC6-amino-4-[diethoxy(methyl)silyl]-2-methylhex-1-en-3-one
SMILESC=C(C)C(=O)C(CCN)[Si](C)(OCC)OCC
InChIInChI=1S/C12H25NO3Si/c1-6-15-17(5,16-7-2)11(8-9-13)12(14)10(3)4/h11H,3,6-9,13H2,1-2,4-5H3
InChIKeyHHQRPMNHFOHAPS-UHFFFAOYSA-N
MW259.42 g/mol
LogP2.00
Rot. Bonds9

About 6-amino-4-[diethoxy(methyl)silyl]-2-methylhex-1-en-3-one

6-amino-4-[diethoxy(methyl)silyl]-2-methylhex-1-en-3-one (PubChem CID 87328231) has the molecular formula C12H25NO3Si and a molecular weight of 259.42 g/mol. Its IUPAC name is 6-amino-4-[diethoxy(methyl)silyl]-2-methylhex-1-en-3-one.

Molecular Properties

Compound Name6-amino-4-[diethoxy(methyl)silyl]-2-methylhex-1-en-3-one
PubChem CID87328231
Molecular FormulaC12H25NO3Si
Molecular Weight259.42 g/mol
Exact Mass259.16
IUPAC Name6-amino-4-[diethoxy(methyl)silyl]-2-methylhex-1-en-3-one
SMILESC=C(C)C(=O)C(CCN)[Si](C)(OCC)OCC
InChIInChI=1S/C12H25NO3Si/c1-6-15-17(5,16-7-2)11(8-9-13)12(14)10(3)4/h11H,3,6-9,13H2,1-2,4-5H3
InChIKeyHHQRPMNHFOHAPS-UHFFFAOYSA-N
XLogP2.00
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[diethoxy(methyl)silyl]nonyl 2-methylprop-2-enoate
CID 162767548
1,1-diethoxy-3-methylbut-3-en-2-one
CID 79495451
5-[ethoxy-(1-hydroxypentyl)-methylsilyl]oxy-2-methylpent-1-en-3-one
CID 142138695
4-ethyl-2-methylhex-1-en-3-one
CID 115780929
3-[diethoxy(pentan-2-yloxy)silyl]propyl 2-methylprop-2-enoate
CID 141157653
4-ethoxy-2-methylhept-1-en-3-one
CID 116707899
1-[diethoxy(methyl)silyl]pentane-1,5-diamine
CID 174723153
4-[diethoxy(1-hydroxypropyl)silyl]oxy-2-methylpent-1-en-3-one
CID 156790524
2-methylprop-2-enamide;triethoxy(propyl)silane
CID 22731699
(4-hydroxy-4-triethoxysilylbutyl) 2-methylprop-2-enoate
CID 175600409
3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;tetraethyl silicate
CID 87080022
4-triethoxysilylpentyl 2-methylprop-2-enoate
CID 87402271

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[diethoxy(methyl)silyl]-2-methylhex-1-en-3-one?
The IUPAC name of 6-amino-4-[diethoxy(methyl)silyl]-2-methylhex-1-en-3-one (CID 87328231) is 6-amino-4-[diethoxy(methyl)silyl]-2-methylhex-1-en-3-one.
What is the SMILES notation for 6-amino-4-[diethoxy(methyl)silyl]-2-methylhex-1-en-3-one?
The canonical SMILES for 6-amino-4-[diethoxy(methyl)silyl]-2-methylhex-1-en-3-one is C=C(C)C(=O)C(CCN)[Si](C)(OCC)OCC.
What is the InChIKey of 6-amino-4-[diethoxy(methyl)silyl]-2-methylhex-1-en-3-one?
The InChIKey is HHQRPMNHFOHAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3Si/c1-6-15-17(5,16-7-2)11(8-9-13)12(14)10(3)4/h11H,3,6-9,13H2,1-2,4-5H3.
What are the key properties of 6-amino-4-[diethoxy(methyl)silyl]-2-methylhex-1-en-3-one?
6-amino-4-[diethoxy(methyl)silyl]-2-methylhex-1-en-3-one has a molecular weight of 259.42 g/mol, XLogP of 2.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-[diethoxy(methyl)silyl]-2-methylhex-1-en-3-one is sourced from PubChem (CID 87328231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).