trimethylsilyl (E)-14-methylhexadec-6-enoate

C20H40O2Si — CID 5352340

IUPACtrimethylsilyl (E)-14-methylhexadec-6-enoate
SMILESCCC(C)CCCCCC/C=C/CCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C20H40O2Si/c1-6-19(2)17-15-13-11-9-7-8-10-12-14-16-18-20(21)22-23(3,4)5/h8,10,19H,6-7,9,11-18H2,1-5H3/b10-8+
InChIKeyYYOPWILXKRNMTR-CSKARUKUSA-N
MW340.62 g/mol
LogP6.87
Rot. Bonds14

About trimethylsilyl (E)-14-methylhexadec-6-enoate

trimethylsilyl (E)-14-methylhexadec-6-enoate (PubChem CID 5352340) has the molecular formula C20H40O2Si and a molecular weight of 340.62 g/mol. Its IUPAC name is trimethylsilyl (E)-14-methylhexadec-6-enoate.

Molecular Properties

Compound Nametrimethylsilyl (E)-14-methylhexadec-6-enoate
PubChem CID5352340
Molecular FormulaC20H40O2Si
Molecular Weight340.62 g/mol
Exact Mass340.28
IUPAC Nametrimethylsilyl (E)-14-methylhexadec-6-enoate
SMILESCCC(C)CCCCCC/C=C/CCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C20H40O2Si/c1-6-19(2)17-15-13-11-9-7-8-10-12-14-16-18-20(21)22-23(3,4)5/h8,10,19H,6-7,9,11-18H2,1-5H3/b10-8+
InChIKeyYYOPWILXKRNMTR-CSKARUKUSA-N
XLogP6.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.62
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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
Methyl gorlate
CID 6271720
Methyl (E)-14-methylhexadec-8-enoate
CID 6436648
Methyl (Z)-14-methylhexadec-8-enoate
CID 20838712
14-Methyl-cis-6-hexadecenoic acid
CID 92034498
Trimethylsilyl (9E)-9-octadecenoate
CID 5352431
Palmitoleic acid trimethylsilyl ester
CID 5352900
tert-Butyldimethylsilyl oleate
CID 71571457
Trimethylsilyl cyclohex-3-ene-1-carboxylate
CID 67666049
11-Methyloctadec-12-enoic acid trimethylsilyl ester
CID 129821971

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (E)-14-methylhexadec-6-enoate?
The IUPAC name of trimethylsilyl (E)-14-methylhexadec-6-enoate (CID 5352340) is trimethylsilyl (E)-14-methylhexadec-6-enoate.
What is the SMILES notation for trimethylsilyl (E)-14-methylhexadec-6-enoate?
The canonical SMILES for trimethylsilyl (E)-14-methylhexadec-6-enoate is CCC(C)CCCCCC/C=C/CCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (E)-14-methylhexadec-6-enoate?
The InChIKey is YYOPWILXKRNMTR-CSKARUKUSA-N. The full InChI is InChI=1S/C20H40O2Si/c1-6-19(2)17-15-13-11-9-7-8-10-12-14-16-18-20(21)22-23(3,4)5/h8,10,19H,6-7,9,11-18H2,1-5H3/b10-8+.
What are the key properties of trimethylsilyl (E)-14-methylhexadec-6-enoate?
trimethylsilyl (E)-14-methylhexadec-6-enoate has a molecular weight of 340.62 g/mol, XLogP of 6.87, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (E)-14-methylhexadec-6-enoate is sourced from PubChem (CID 5352340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).