trimethylsilyl (7E)-7-trimethylsilyloxyiminooctanoate

C14H31NO3Si2 — CID 5372781

IUPACtrimethylsilyl (7E)-7-trimethylsilyloxyiminooctanoate
SMILESC/C(CCCCCC(=O)O[Si](C)(C)C)=N\O[Si](C)(C)C
InChIInChI=1S/C14H31NO3Si2/c1-13(15-18-20(5,6)7)11-9-8-10-12-14(16)17-19(2,3)4/h8-12H2,1-7H3/b15-13+
InChIKeyJGDHENRMPBIOHL-FYWRMAATSA-N
MW317.58 g/mol
LogP4.54
Rot. Bonds9

About trimethylsilyl (7E)-7-trimethylsilyloxyiminooctanoate

trimethylsilyl (7E)-7-trimethylsilyloxyiminooctanoate (PubChem CID 5372781) has the molecular formula C14H31NO3Si2 and a molecular weight of 317.58 g/mol. Its IUPAC name is trimethylsilyl (7E)-7-trimethylsilyloxyiminooctanoate.

Molecular Properties

Compound Nametrimethylsilyl (7E)-7-trimethylsilyloxyiminooctanoate
PubChem CID5372781
Molecular FormulaC14H31NO3Si2
Molecular Weight317.58 g/mol
Exact Mass317.18
IUPAC Nametrimethylsilyl (7E)-7-trimethylsilyloxyiminooctanoate
SMILESC/C(CCCCCC(=O)O[Si](C)(C)C)=N\O[Si](C)(C)C
InChIInChI=1S/C14H31NO3Si2/c1-13(15-18-20(5,6)7)11-9-8-10-12-14(16)17-19(2,3)4/h8-12H2,1-7H3/b15-13+
InChIKeyJGDHENRMPBIOHL-FYWRMAATSA-N
XLogP4.54
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.58
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

bis(trimethylsilyl) 2-trimethylsilyloxyiminohexanedioate
CID 528740
trimethylsilyl icosanoate
CID 521648
(5E)-5-trimethylsilyloxyiminohexan-2-one
CID 88532196
trimethylsilyl 6-[bis(trimethylsilyl)amino]hexanoate
CID 529226
bis(trimethylsilyl) (2E)-2-trimethylsilyloxyiminopentanedioate
CID 5352677
trimethylsilyl 17-methyloctadecanoate
CID 91752780
trimethylsilyl 4-[bis(trimethylsilyl)amino]butanoate
CID 529208
trimethylsilyl (E)-octadec-11-enoate
CID 5366419
(octan-2-ylideneamino) hexanoate
CID 142734724
trimethylsilyl (E)-12-methyloctadec-11-enoate
CID 91697180
1-O-prop-1-en-2-yl 4-O-trimethylsilyl butanedioate
CID 552478
trimethylsilyl 8-methyltetradecanoate
CID 526098

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (7E)-7-trimethylsilyloxyiminooctanoate?
The IUPAC name of trimethylsilyl (7E)-7-trimethylsilyloxyiminooctanoate (CID 5372781) is trimethylsilyl (7E)-7-trimethylsilyloxyiminooctanoate.
What is the SMILES notation for trimethylsilyl (7E)-7-trimethylsilyloxyiminooctanoate?
The canonical SMILES for trimethylsilyl (7E)-7-trimethylsilyloxyiminooctanoate is C/C(CCCCCC(=O)O[Si](C)(C)C)=N\O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (7E)-7-trimethylsilyloxyiminooctanoate?
The InChIKey is JGDHENRMPBIOHL-FYWRMAATSA-N. The full InChI is InChI=1S/C14H31NO3Si2/c1-13(15-18-20(5,6)7)11-9-8-10-12-14(16)17-19(2,3)4/h8-12H2,1-7H3/b15-13+.
What are the key properties of trimethylsilyl (7E)-7-trimethylsilyloxyiminooctanoate?
trimethylsilyl (7E)-7-trimethylsilyloxyiminooctanoate has a molecular weight of 317.58 g/mol, XLogP of 4.54, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (7E)-7-trimethylsilyloxyiminooctanoate is sourced from PubChem (CID 5372781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).