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

C19H40O5Si3 — CID 5366445

IUPACbis(trimethylsilyl) (Z)-3-trimethylsilyloxydec-2-enedioate
SMILESC[Si](C)(C)OC(=O)/C=C(/CCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H40O5Si3/c1-25(2,3)22-17(16-19(21)24-27(7,8)9)14-12-10-11-13-15-18(20)23-26(4,5)6/h16H,10-15H2,1-9H3/b17-16-
InChIKeyKQVVMZZJMXVHRU-MSUUIHNZSA-N
MW432.78 g/mol
LogP5.82
Rot. Bonds12

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

bis(trimethylsilyl) (Z)-3-trimethylsilyloxydec-2-enedioate (PubChem CID 5366445) has the molecular formula C19H40O5Si3 and a molecular weight of 432.78 g/mol. Its IUPAC name is bis(trimethylsilyl) (Z)-3-trimethylsilyloxydec-2-enedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) (Z)-3-trimethylsilyloxydec-2-enedioate
PubChem CID5366445
Molecular FormulaC19H40O5Si3
Molecular Weight432.78 g/mol
Exact Mass432.22
IUPAC Namebis(trimethylsilyl) (Z)-3-trimethylsilyloxydec-2-enedioate
SMILESC[Si](C)(C)OC(=O)/C=C(/CCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H40O5Si3/c1-25(2,3)22-17(16-19(21)24-27(7,8)9)14-12-10-11-13-15-18(20)23-26(4,5)6/h16H,10-15H2,1-9H3/b17-16-
InChIKeyKQVVMZZJMXVHRU-MSUUIHNZSA-N
XLogP5.82
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.78
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Oleic acid, trimethylsilyl ester
CID 5366433
Linoleic acid trimethylsilyl ester
CID 5352430
Trimethylsilyl (3Z,6Z,9Z)-3,6,9-octadecatrienoate
CID 5366426
Trimethylsilyl (9E)-9-octadecenoate
CID 5352431
Palmitoleic acid trimethylsilyl ester
CID 5352900
8-Octadecenoic acid, trimethylsilyl ester
CID 5352347
11-cis-Octadecenoic acid, trimethylsilyl ester
CID 5366417
11-trans-Octadecenoic acid, trimethylsilyl ester
CID 5366419
trans-Traumatic acid, bis(tert-butyldimethylsilyl) ester
CID 5366939
Traumatic acid, TMS
CID 5463675
Nervonic acid trimethylsilyl ester
CID 91696379
trans-13-Octadecenoic acid, trimethylsilyl ester
CID 91696380

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) (Z)-3-trimethylsilyloxydec-2-enedioate?
The IUPAC name of bis(trimethylsilyl) (Z)-3-trimethylsilyloxydec-2-enedioate (CID 5366445) is bis(trimethylsilyl) (Z)-3-trimethylsilyloxydec-2-enedioate.
What is the SMILES notation for bis(trimethylsilyl) (Z)-3-trimethylsilyloxydec-2-enedioate?
The canonical SMILES for bis(trimethylsilyl) (Z)-3-trimethylsilyloxydec-2-enedioate is C[Si](C)(C)OC(=O)/C=C(/CCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) (Z)-3-trimethylsilyloxydec-2-enedioate?
The InChIKey is KQVVMZZJMXVHRU-MSUUIHNZSA-N. The full InChI is InChI=1S/C19H40O5Si3/c1-25(2,3)22-17(16-19(21)24-27(7,8)9)14-12-10-11-13-15-18(20)23-26(4,5)6/h16H,10-15H2,1-9H3/b17-16-.
What are the key properties of bis(trimethylsilyl) (Z)-3-trimethylsilyloxydec-2-enedioate?
bis(trimethylsilyl) (Z)-3-trimethylsilyloxydec-2-enedioate has a molecular weight of 432.78 g/mol, XLogP of 5.82, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) (Z)-3-trimethylsilyloxydec-2-enedioate is sourced from PubChem (CID 5366445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).