trimethylsilyl 2-methyl-3-trimethylsilyloxyhex-2-eneperoxoate

C13H28O4Si2 — CID 173459969

IUPACtrimethylsilyl 2-methyl-3-trimethylsilyloxyhex-2-eneperoxoate
SMILESCCCC(O[Si](C)(C)C)=C(C)C(=O)OO[Si](C)(C)C
InChIInChI=1S/C13H28O4Si2/c1-9-10-12(16-18(3,4)5)11(2)13(14)15-17-19(6,7)8/h9-10H2,1-8H3
InChIKeyJWZGFLFSRWTKJJ-UHFFFAOYSA-N
MW304.54 g/mol
LogP4.22
Rot. Bonds7

About trimethylsilyl 2-methyl-3-trimethylsilyloxyhex-2-eneperoxoate

trimethylsilyl 2-methyl-3-trimethylsilyloxyhex-2-eneperoxoate (PubChem CID 173459969) has the molecular formula C13H28O4Si2 and a molecular weight of 304.54 g/mol. Its IUPAC name is trimethylsilyl 2-methyl-3-trimethylsilyloxyhex-2-eneperoxoate.

Molecular Properties

Compound Nametrimethylsilyl 2-methyl-3-trimethylsilyloxyhex-2-eneperoxoate
PubChem CID173459969
Molecular FormulaC13H28O4Si2
Molecular Weight304.54 g/mol
Exact Mass304.15
IUPAC Nametrimethylsilyl 2-methyl-3-trimethylsilyloxyhex-2-eneperoxoate
SMILESCCCC(O[Si](C)(C)C)=C(C)C(=O)OO[Si](C)(C)C
InChIInChI=1S/C13H28O4Si2/c1-9-10-12(16-18(3,4)5)11(2)13(14)15-17-19(6,7)8/h9-10H2,1-8H3
InChIKeyJWZGFLFSRWTKJJ-UHFFFAOYSA-N
XLogP4.22
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.54
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze trimethylsilyl 2-methyl-3-trimethylsilyloxyhex-2-eneperoxoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trimethylsilyl (Z)-2-propyl-3-trimethylsilyloxypent-2-enoate
CID 5352358
trimethylsilyl 2-oxopentanoate
CID 530075
trimethyl(2-methyloct-2-en-3-yloxy)silane
CID 12578747
trimethylsilyl (E)-2-propylpent-2-enoate
CID 5352357
(E)-N,N-dimethyl-5-trimethylsilyloxyoct-4-en-4-amine
CID 10857701
trimethylsilyl (2E)-2-propylpenta-2,4-dienoate
CID 5352354
trimethylsilyl icosanoate
CID 521648
trimethylsilyl 2-methyl-3-silylprop-2-eneperoxoate
CID 175051669
trimethylsilyl (2Z)-2-methoxyiminopentanoate
CID 5366686
methyl 2-methyl-3-[2-(trimethylsilylmethylidene)but-3-enoyloxy]hex-2-enoate
CID 174504144
trimethylsilyl 3-dimethylsilyl-2-methylprop-2-eneperoxoate
CID 173394840
acetyl 3-acetyl-2-methylhex-2-eneperoxoate
CID 173070680

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-methyl-3-trimethylsilyloxyhex-2-eneperoxoate?
The IUPAC name of trimethylsilyl 2-methyl-3-trimethylsilyloxyhex-2-eneperoxoate (CID 173459969) is trimethylsilyl 2-methyl-3-trimethylsilyloxyhex-2-eneperoxoate.
What is the SMILES notation for trimethylsilyl 2-methyl-3-trimethylsilyloxyhex-2-eneperoxoate?
The canonical SMILES for trimethylsilyl 2-methyl-3-trimethylsilyloxyhex-2-eneperoxoate is CCCC(O[Si](C)(C)C)=C(C)C(=O)OO[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-methyl-3-trimethylsilyloxyhex-2-eneperoxoate?
The InChIKey is JWZGFLFSRWTKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4Si2/c1-9-10-12(16-18(3,4)5)11(2)13(14)15-17-19(6,7)8/h9-10H2,1-8H3.
What are the key properties of trimethylsilyl 2-methyl-3-trimethylsilyloxyhex-2-eneperoxoate?
trimethylsilyl 2-methyl-3-trimethylsilyloxyhex-2-eneperoxoate has a molecular weight of 304.54 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-methyl-3-trimethylsilyloxyhex-2-eneperoxoate is sourced from PubChem (CID 173459969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).