trimethylsilyl (E)-3-trimethylsilyloxybut-2-enoate

C10H22O3Si2 — CID 6427114

IUPACtrimethylsilyl (E)-3-trimethylsilyloxybut-2-enoate
SMILESC/C(=C\C(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C10H22O3Si2/c1-9(12-14(2,3)4)8-10(11)13-15(5,6)7/h8H,1-7H3/b9-8+
InChIKeyVIWVQGUWKULKOS-CMDGGOBGSA-N
MW246.45 g/mol
LogP3.12
Rot. Bonds4

About trimethylsilyl (E)-3-trimethylsilyloxybut-2-enoate

trimethylsilyl (E)-3-trimethylsilyloxybut-2-enoate (PubChem CID 6427114) has the molecular formula C10H22O3Si2 and a molecular weight of 246.45 g/mol. Its IUPAC name is trimethylsilyl (E)-3-trimethylsilyloxybut-2-enoate.

Molecular Properties

Compound Nametrimethylsilyl (E)-3-trimethylsilyloxybut-2-enoate
PubChem CID6427114
Molecular FormulaC10H22O3Si2
Molecular Weight246.45 g/mol
Exact Mass246.11
IUPAC Nametrimethylsilyl (E)-3-trimethylsilyloxybut-2-enoate
SMILESC/C(=C\C(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C10H22O3Si2/c1-9(12-14(2,3)4)8-10(11)13-15(5,6)7/h8H,1-7H3/b9-8+
InChIKeyVIWVQGUWKULKOS-CMDGGOBGSA-N
XLogP3.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.45
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

tert-butyl (Z)-3-trimethylsilyloxybut-2-enoate
CID 87603197
bis(trimethylsilyl) (E)-2-methylbut-2-enedioate
CID 12598819
trimethylsilyl (E)-3-methylpent-2-enoate
CID 10012676
trimethylsilyl 4-bromo-3-methylbut-2-enoate
CID 71409748
1-bromoprop-1-en-2-yloxy(trimethyl)silane
CID 71393586
trimethyl-[(2E,4E)-5-trimethylsilyloxyhexa-2,4-dien-2-yl]oxysilane
CID 14065831
trimethylsilyl (2Z,4Z)-6-oxo-4-trimethylsilyloxyhepta-2,4-dienoate
CID 5374893
bis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-2-enedioate
CID 6421159
N-phenyl-3-trimethylsilyloxybut-2-enamide
CID 169452273
trimethyl-[(2E,6E)-4,4,5,5-tetramethyl-7-trimethylsilyloxyocta-2,6-dien-2-yl]oxysilane
CID 11371297
trimethylsilyl 2-oxopropanoate
CID 554459
trimethylsilyl hex-2-enoate
CID 598634

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (E)-3-trimethylsilyloxybut-2-enoate?
The IUPAC name of trimethylsilyl (E)-3-trimethylsilyloxybut-2-enoate (CID 6427114) is trimethylsilyl (E)-3-trimethylsilyloxybut-2-enoate.
What is the SMILES notation for trimethylsilyl (E)-3-trimethylsilyloxybut-2-enoate?
The canonical SMILES for trimethylsilyl (E)-3-trimethylsilyloxybut-2-enoate is C/C(=C\C(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (E)-3-trimethylsilyloxybut-2-enoate?
The InChIKey is VIWVQGUWKULKOS-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H22O3Si2/c1-9(12-14(2,3)4)8-10(11)13-15(5,6)7/h8H,1-7H3/b9-8+.
What are the key properties of trimethylsilyl (E)-3-trimethylsilyloxybut-2-enoate?
trimethylsilyl (E)-3-trimethylsilyloxybut-2-enoate has a molecular weight of 246.45 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (E)-3-trimethylsilyloxybut-2-enoate is sourced from PubChem (CID 6427114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).