bis(trimethylsilyl) (E)-dec-2-enedioate

C16H32O4Si2 — CID 6428549

IUPACbis(trimethylsilyl) (E)-dec-2-enedioate
SMILESC[Si](C)(C)OC(=O)/C=C/CCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C16H32O4Si2/c1-21(2,3)19-15(17)13-11-9-7-8-10-12-14-16(18)20-22(4,5)6/h11,13H,7-10,12,14H2,1-6H3/b13-11+
InChIKeyDFEUUVUCLRXJGP-ACCUITESSA-N
MW344.60 g/mol
LogP4.64
Rot. Bonds10

About bis(trimethylsilyl) (E)-dec-2-enedioate

bis(trimethylsilyl) (E)-dec-2-enedioate (PubChem CID 6428549) has the molecular formula C16H32O4Si2 and a molecular weight of 344.60 g/mol. Its IUPAC name is bis(trimethylsilyl) (E)-dec-2-enedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) (E)-dec-2-enedioate
PubChem CID6428549
Molecular FormulaC16H32O4Si2
Molecular Weight344.60 g/mol
Exact Mass344.18
IUPAC Namebis(trimethylsilyl) (E)-dec-2-enedioate
SMILESC[Si](C)(C)OC(=O)/C=C/CCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C16H32O4Si2/c1-21(2,3)19-15(17)13-11-9-7-8-10-12-14-16(18)20-22(4,5)6/h11,13H,7-10,12,14H2,1-6H3/b13-11+
InChIKeyDFEUUVUCLRXJGP-ACCUITESSA-N
XLogP4.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.60
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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
tert-Butyldimethylsilyl oleate
CID 71571457
trans-13-Octadecenoic acid, trimethylsilyl ester
CID 91696380
cis-13-Docosenoic acid, trimethylsilyl ester
CID 91696405
cis-13-Octadecenoic acid, trimethylsilyl ester
CID 91696440
8-Octadecenoic acid, trimethylsilyl ester
CID 5352347
11-cis-Octadecenoic acid, trimethylsilyl ester
CID 5366417
11-trans-Octadecenoic acid, trimethylsilyl ester
CID 5366419

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) (E)-dec-2-enedioate?
The IUPAC name of bis(trimethylsilyl) (E)-dec-2-enedioate (CID 6428549) is bis(trimethylsilyl) (E)-dec-2-enedioate.
What is the SMILES notation for bis(trimethylsilyl) (E)-dec-2-enedioate?
The canonical SMILES for bis(trimethylsilyl) (E)-dec-2-enedioate is C[Si](C)(C)OC(=O)/C=C/CCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) (E)-dec-2-enedioate?
The InChIKey is DFEUUVUCLRXJGP-ACCUITESSA-N. The full InChI is InChI=1S/C16H32O4Si2/c1-21(2,3)19-15(17)13-11-9-7-8-10-12-14-16(18)20-22(4,5)6/h11,13H,7-10,12,14H2,1-6H3/b13-11+.
What are the key properties of bis(trimethylsilyl) (E)-dec-2-enedioate?
bis(trimethylsilyl) (E)-dec-2-enedioate has a molecular weight of 344.60 g/mol, XLogP of 4.64, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) (E)-dec-2-enedioate is sourced from PubChem (CID 6428549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).