trimethylsilyl (4Z,6E)-4,6-bis(phenylmethoxyimino)heptanoate

C24H32N2O4Si — CID 91699647

IUPACtrimethylsilyl (4Z,6E)-4,6-bis(phenylmethoxyimino)heptanoate
SMILESC/C(C/C(CCC(=O)O[Si](C)(C)C)=N\OCc1ccccc1)=N\OCc1ccccc1
InChIInChI=1S/C24H32N2O4Si/c1-20(25-28-18-21-11-7-5-8-12-21)17-23(15-16-24(27)30-31(2,3)4)26-29-19-22-13-9-6-10-14-22/h5-14H,15-19H2,1-4H3/b25-20+,26-23-
InChIKeyQDOIDENPVQBSNT-WHVOXNPRSA-N
MW440.62 g/mol
LogP5.70
Rot. Bonds12

About trimethylsilyl (4Z,6E)-4,6-bis(phenylmethoxyimino)heptanoate

trimethylsilyl (4Z,6E)-4,6-bis(phenylmethoxyimino)heptanoate (PubChem CID 91699647) has the molecular formula C24H32N2O4Si and a molecular weight of 440.62 g/mol. Its IUPAC name is trimethylsilyl (4Z,6E)-4,6-bis(phenylmethoxyimino)heptanoate.

Molecular Properties

Compound Nametrimethylsilyl (4Z,6E)-4,6-bis(phenylmethoxyimino)heptanoate
PubChem CID91699647
Molecular FormulaC24H32N2O4Si
Molecular Weight440.62 g/mol
Exact Mass440.21
IUPAC Nametrimethylsilyl (4Z,6E)-4,6-bis(phenylmethoxyimino)heptanoate
SMILESC/C(C/C(CCC(=O)O[Si](C)(C)C)=N\OCc1ccccc1)=N\OCc1ccccc1
InChIInChI=1S/C24H32N2O4Si/c1-20(25-28-18-21-11-7-5-8-12-21)17-23(15-16-24(27)30-31(2,3)4)26-29-19-22-13-9-6-10-14-22/h5-14H,15-19H2,1-4H3/b25-20+,26-23-
InChIKeyQDOIDENPVQBSNT-WHVOXNPRSA-N
XLogP5.70
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.62
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

trimethylsilyl (2Z)-2-phenylmethoxyiminopentanoate
CID 5368306
1-phenyl-1-N,3-N-bis(phenylmethoxy)butane-1,3-diimine
CID 87328837
trimethylsilyl 4-phenylbutanoate
CID 523833
bis(trimethylsilyl) (3E,5E)-3,5-bis(ethoxyimino)octanedioate
CID 5366431
trimethylsilyl 2-phenylmethoxyiminooctanoate
CID 561576
(2E)-2-phenylmethoxyiminopropanamide
CID 6108919
1-phenyl-2-N,4-N-bis(trimethylsilyloxy)pentane-2,4-diimine
CID 87328481
methyl (2Z)-3-oxo-2-phenylmethoxyiminobutanoate
CID 10868261
trimethylsilyl 2-[(2-phenylacetyl)amino]acetate
CID 523699
(E)-1-(4-bromophenyl)-N-phenylmethoxyethanimine
CID 71724198
4-phenylmethoxyiminohexanenitrile
CID 140887374
1,5-diphenyl-1-N,3-N,5-N-tris(phenylmethoxy)pentane-1,3,5-triimine
CID 87328446

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (4Z,6E)-4,6-bis(phenylmethoxyimino)heptanoate?
The IUPAC name of trimethylsilyl (4Z,6E)-4,6-bis(phenylmethoxyimino)heptanoate (CID 91699647) is trimethylsilyl (4Z,6E)-4,6-bis(phenylmethoxyimino)heptanoate.
What is the SMILES notation for trimethylsilyl (4Z,6E)-4,6-bis(phenylmethoxyimino)heptanoate?
The canonical SMILES for trimethylsilyl (4Z,6E)-4,6-bis(phenylmethoxyimino)heptanoate is C/C(C/C(CCC(=O)O[Si](C)(C)C)=N\OCc1ccccc1)=N\OCc1ccccc1.
What is the InChIKey of trimethylsilyl (4Z,6E)-4,6-bis(phenylmethoxyimino)heptanoate?
The InChIKey is QDOIDENPVQBSNT-WHVOXNPRSA-N. The full InChI is InChI=1S/C24H32N2O4Si/c1-20(25-28-18-21-11-7-5-8-12-21)17-23(15-16-24(27)30-31(2,3)4)26-29-19-22-13-9-6-10-14-22/h5-14H,15-19H2,1-4H3/b25-20+,26-23-.
What are the key properties of trimethylsilyl (4Z,6E)-4,6-bis(phenylmethoxyimino)heptanoate?
trimethylsilyl (4Z,6E)-4,6-bis(phenylmethoxyimino)heptanoate has a molecular weight of 440.62 g/mol, XLogP of 5.70, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (4Z,6E)-4,6-bis(phenylmethoxyimino)heptanoate is sourced from PubChem (CID 91699647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).