trimethylsilyl (E)-4-trimethylsilyl-2,3-bis(trimethylsilyloxy)but-3-enoate

C16H38O4Si4 — CID 14715611

IUPACtrimethylsilyl (E)-4-trimethylsilyl-2,3-bis(trimethylsilyloxy)but-3-enoate
SMILESC[Si](C)(C)/C=C(/O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C16H38O4Si4/c1-21(2,3)13-14(18-22(4,5)6)15(19-23(7,8)9)16(17)20-24(10,11)12/h13,15H,1-12H3/b14-13+
InChIKeyJPCGKPYTARHRLX-BUHFOSPRSA-N
MW406.82 g/mol
LogP5.20
Rot. Bonds8

About trimethylsilyl (E)-4-trimethylsilyl-2,3-bis(trimethylsilyloxy)but-3-enoate

trimethylsilyl (E)-4-trimethylsilyl-2,3-bis(trimethylsilyloxy)but-3-enoate (PubChem CID 14715611) has the molecular formula C16H38O4Si4 and a molecular weight of 406.82 g/mol. Its IUPAC name is trimethylsilyl (E)-4-trimethylsilyl-2,3-bis(trimethylsilyloxy)but-3-enoate.

Molecular Properties

Compound Nametrimethylsilyl (E)-4-trimethylsilyl-2,3-bis(trimethylsilyloxy)but-3-enoate
PubChem CID14715611
Molecular FormulaC16H38O4Si4
Molecular Weight406.82 g/mol
Exact Mass406.18
IUPAC Nametrimethylsilyl (E)-4-trimethylsilyl-2,3-bis(trimethylsilyloxy)but-3-enoate
SMILESC[Si](C)(C)/C=C(/O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C16H38O4Si4/c1-21(2,3)13-14(18-22(4,5)6)15(19-23(7,8)9)16(17)20-24(10,11)12/h13,15H,1-12H3/b14-13+
InChIKeyJPCGKPYTARHRLX-BUHFOSPRSA-N
XLogP5.20
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.82
LogP ≤ 55.20
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'}

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Related Compounds

methyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enoate
CID 11199689
trimethylsilyl (Z)-2-methoxy-4-trimethylsilyl-3-trimethylsilyloxybut-3-enoate
CID 102059143

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (E)-4-trimethylsilyl-2,3-bis(trimethylsilyloxy)but-3-enoate?
The IUPAC name of trimethylsilyl (E)-4-trimethylsilyl-2,3-bis(trimethylsilyloxy)but-3-enoate (CID 14715611) is trimethylsilyl (E)-4-trimethylsilyl-2,3-bis(trimethylsilyloxy)but-3-enoate.
What is the SMILES notation for trimethylsilyl (E)-4-trimethylsilyl-2,3-bis(trimethylsilyloxy)but-3-enoate?
The canonical SMILES for trimethylsilyl (E)-4-trimethylsilyl-2,3-bis(trimethylsilyloxy)but-3-enoate is C[Si](C)(C)/C=C(/O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (E)-4-trimethylsilyl-2,3-bis(trimethylsilyloxy)but-3-enoate?
The InChIKey is JPCGKPYTARHRLX-BUHFOSPRSA-N. The full InChI is InChI=1S/C16H38O4Si4/c1-21(2,3)13-14(18-22(4,5)6)15(19-23(7,8)9)16(17)20-24(10,11)12/h13,15H,1-12H3/b14-13+.
What are the key properties of trimethylsilyl (E)-4-trimethylsilyl-2,3-bis(trimethylsilyloxy)but-3-enoate?
trimethylsilyl (E)-4-trimethylsilyl-2,3-bis(trimethylsilyloxy)but-3-enoate has a molecular weight of 406.82 g/mol, XLogP of 5.20, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (E)-4-trimethylsilyl-2,3-bis(trimethylsilyloxy)but-3-enoate is sourced from PubChem (CID 14715611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).