bis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-2-enedioate

C15H32O5Si3 — CID 6421159

IUPACbis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-2-enedioate
SMILESC[Si](C)(C)OC(=O)/C=C(/CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C15H32O5Si3/c1-21(2,3)18-13(12-15(17)20-23(7,8)9)10-11-14(16)19-22(4,5)6/h12H,10-11H2,1-9H3/b13-12-
InChIKeyMZWJNCLLARMEMP-SEYXRHQNSA-N
MW376.67 g/mol
LogP4.26
Rot. Bonds8

About bis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-2-enedioate

bis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-2-enedioate (PubChem CID 6421159) has the molecular formula C15H32O5Si3 and a molecular weight of 376.67 g/mol. Its IUPAC name is bis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-2-enedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-2-enedioate
PubChem CID6421159
Molecular FormulaC15H32O5Si3
Molecular Weight376.67 g/mol
Exact Mass376.16
IUPAC Namebis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-2-enedioate
SMILESC[Si](C)(C)OC(=O)/C=C(/CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C15H32O5Si3/c1-21(2,3)18-13(12-15(17)20-23(7,8)9)10-11-14(16)19-22(4,5)6/h12H,10-11H2,1-9H3/b13-12-
InChIKeyMZWJNCLLARMEMP-SEYXRHQNSA-N
XLogP4.26
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.67
LogP ≤ 54.26
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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Related Compounds

bis(trimethylsilyl) (Z)-oct-4-enedioate
CID 91753100
trimethylsilyl (E)-3-trimethylsilyloxybut-2-enoate
CID 6427114
trimethylsilyl 4-bromo-3-methylbut-2-enoate
CID 71409748
trimethylsilyl (E)-3-methylpent-2-enoate
CID 10012676
methyl (Z)-4-chloro-3-trimethylsilyloxybut-2-enoate
CID 86747713
trimethylsilyl 4-oxo-5-(trimethylsilylamino)pentanoate
CID 568353
6-oxo-N-trimethylsilyl-4-trimethylsilyloxyhept-4-enamide
CID 90744370
1-O-prop-1-en-2-yl 4-O-trimethylsilyl butanedioate
CID 552478
bis(trimethylsilyl) pent-2-enedioate
CID 553041
trimethylsilyl (E)-8-oxooct-4-enoate
CID 23261458
bis(trimethylsilyl) (E)-2-methylbut-2-enedioate
CID 12598819
trimethylsilyl icosanoate
CID 521648

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-2-enedioate?
The IUPAC name of bis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-2-enedioate (CID 6421159) is bis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-2-enedioate.
What is the SMILES notation for bis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-2-enedioate?
The canonical SMILES for bis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-2-enedioate is C[Si](C)(C)OC(=O)/C=C(/CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-2-enedioate?
The InChIKey is MZWJNCLLARMEMP-SEYXRHQNSA-N. The full InChI is InChI=1S/C15H32O5Si3/c1-21(2,3)18-13(12-15(17)20-23(7,8)9)10-11-14(16)19-22(4,5)6/h12H,10-11H2,1-9H3/b13-12-.
What are the key properties of bis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-2-enedioate?
bis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-2-enedioate has a molecular weight of 376.67 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-2-enedioate is sourced from PubChem (CID 6421159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).