bis(trimethylsilyl) (Z)-2-trimethylsilyloxypent-2-enedioate

C14H30O5Si3 — CID 5366622

IUPACbis(trimethylsilyl) (Z)-2-trimethylsilyloxypent-2-enedioate
SMILESC[Si](C)(C)OC(=O)C/C=C(\O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C14H30O5Si3/c1-20(2,3)17-12(14(16)19-22(7,8)9)10-11-13(15)18-21(4,5)6/h10H,11H2,1-9H3/b12-10-
InChIKeyTZIXNQWQHKLOGH-BENRWUELSA-N
MW362.65 g/mol
LogP3.87
Rot. Bonds7

About bis(trimethylsilyl) (Z)-2-trimethylsilyloxypent-2-enedioate

bis(trimethylsilyl) (Z)-2-trimethylsilyloxypent-2-enedioate (PubChem CID 5366622) has the molecular formula C14H30O5Si3 and a molecular weight of 362.65 g/mol. Its IUPAC name is bis(trimethylsilyl) (Z)-2-trimethylsilyloxypent-2-enedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) (Z)-2-trimethylsilyloxypent-2-enedioate
PubChem CID5366622
Molecular FormulaC14H30O5Si3
Molecular Weight362.65 g/mol
Exact Mass362.14
IUPAC Namebis(trimethylsilyl) (Z)-2-trimethylsilyloxypent-2-enedioate
SMILESC[Si](C)(C)OC(=O)C/C=C(\O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C14H30O5Si3/c1-20(2,3)17-12(14(16)19-22(7,8)9)10-11-13(15)18-21(4,5)6/h10H,11H2,1-9H3/b12-10-
InChIKeyTZIXNQWQHKLOGH-BENRWUELSA-N
XLogP3.87
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.65
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) (Z)-2-trimethylsilyloxypent-2-enedioate?
The IUPAC name of bis(trimethylsilyl) (Z)-2-trimethylsilyloxypent-2-enedioate (CID 5366622) is bis(trimethylsilyl) (Z)-2-trimethylsilyloxypent-2-enedioate.
What is the SMILES notation for bis(trimethylsilyl) (Z)-2-trimethylsilyloxypent-2-enedioate?
The canonical SMILES for bis(trimethylsilyl) (Z)-2-trimethylsilyloxypent-2-enedioate is C[Si](C)(C)OC(=O)C/C=C(\O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) (Z)-2-trimethylsilyloxypent-2-enedioate?
The InChIKey is TZIXNQWQHKLOGH-BENRWUELSA-N. The full InChI is InChI=1S/C14H30O5Si3/c1-20(2,3)17-12(14(16)19-22(7,8)9)10-11-13(15)18-21(4,5)6/h10H,11H2,1-9H3/b12-10-.
What are the key properties of bis(trimethylsilyl) (Z)-2-trimethylsilyloxypent-2-enedioate?
bis(trimethylsilyl) (Z)-2-trimethylsilyloxypent-2-enedioate has a molecular weight of 362.65 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) (Z)-2-trimethylsilyloxypent-2-enedioate is sourced from PubChem (CID 5366622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).