4,6-bis(trimethylsilyloxyimino)heptan-2-one

C13H28N2O3Si2 — CID 173378642

IUPAC4,6-bis(trimethylsilyloxyimino)heptan-2-one
SMILESCC(=O)CC(CC(C)=NO[Si](C)(C)C)=NO[Si](C)(C)C
InChIInChI=1S/C13H28N2O3Si2/c1-11(14-17-19(3,4)5)9-13(10-12(2)16)15-18-20(6,7)8/h9-10H2,1-8H3
InChIKeyMMLVDHYQWUGVTJ-UHFFFAOYSA-N
MW316.55 g/mol
LogP3.79
Rot. Bonds8

About 4,6-bis(trimethylsilyloxyimino)heptan-2-one

4,6-bis(trimethylsilyloxyimino)heptan-2-one (PubChem CID 173378642) has the molecular formula C13H28N2O3Si2 and a molecular weight of 316.55 g/mol. Its IUPAC name is 4,6-bis(trimethylsilyloxyimino)heptan-2-one.

Molecular Properties

Compound Name4,6-bis(trimethylsilyloxyimino)heptan-2-one
PubChem CID173378642
Molecular FormulaC13H28N2O3Si2
Molecular Weight316.55 g/mol
Exact Mass316.16
IUPAC Name4,6-bis(trimethylsilyloxyimino)heptan-2-one
SMILESCC(=O)CC(CC(C)=NO[Si](C)(C)C)=NO[Si](C)(C)C
InChIInChI=1S/C13H28N2O3Si2/c1-11(14-17-19(3,4)5)9-13(10-12(2)16)15-18-20(6,7)8/h9-10H2,1-8H3
InChIKeyMMLVDHYQWUGVTJ-UHFFFAOYSA-N
XLogP3.79
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.55
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

(5E)-5-trimethylsilyloxyiminohexan-2-one
CID 88532196
1-phenyl-2-N,4-N-bis(trimethylsilyloxy)pentane-2,4-diimine
CID 87328481
trimethylsilyl (7E)-7-trimethylsilyloxyiminooctanoate
CID 5372781
3-trimethylsilyloxyiminobutanenitrile
CID 140887440
N-trimethylsilyloxypropan-2-imine
CID 14115311
potassium pentane-2,4-dione
CID 19762724
nickel;pentane-2,4-dione
CID 158705791
(1Z)-N-trimethylsilyloxyethanimidoyl chloride
CID 119096801
pentane-2,4-dione;propan-2-one;ruthenium
CID 175213221
Lithium pentane-2,4-dione
CID 86735745
(5E)-5-triphenylsilyloxyiminohexan-3-one
CID 88531904
methylazanide;pentane-2,4-dione;yttrium
CID 158650555

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(trimethylsilyloxyimino)heptan-2-one?
The IUPAC name of 4,6-bis(trimethylsilyloxyimino)heptan-2-one (CID 173378642) is 4,6-bis(trimethylsilyloxyimino)heptan-2-one.
What is the SMILES notation for 4,6-bis(trimethylsilyloxyimino)heptan-2-one?
The canonical SMILES for 4,6-bis(trimethylsilyloxyimino)heptan-2-one is CC(=O)CC(CC(C)=NO[Si](C)(C)C)=NO[Si](C)(C)C.
What is the InChIKey of 4,6-bis(trimethylsilyloxyimino)heptan-2-one?
The InChIKey is MMLVDHYQWUGVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3Si2/c1-11(14-17-19(3,4)5)9-13(10-12(2)16)15-18-20(6,7)8/h9-10H2,1-8H3.
What are the key properties of 4,6-bis(trimethylsilyloxyimino)heptan-2-one?
4,6-bis(trimethylsilyloxyimino)heptan-2-one has a molecular weight of 316.55 g/mol, XLogP of 3.79, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(trimethylsilyloxyimino)heptan-2-one is sourced from PubChem (CID 173378642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).