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

C19H38O2Si — CID 5352343

IUPACtrimethylsilyl (E)-14-methylpentadec-6-enoate
SMILESCC(C)CCCCCC/C=C/CCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C19H38O2Si/c1-18(2)16-14-12-10-8-6-7-9-11-13-15-17-19(20)21-22(3,4)5/h7,9,18H,6,8,10-17H2,1-5H3/b9-7+
InChIKeyQZAOISHUKVAVTP-VQHVLOKHSA-N
MW326.60 g/mol
LogP6.48
Rot. Bonds13

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

trimethylsilyl (E)-14-methylpentadec-6-enoate (PubChem CID 5352343) has the molecular formula C19H38O2Si and a molecular weight of 326.60 g/mol. Its IUPAC name is trimethylsilyl (E)-14-methylpentadec-6-enoate.

Molecular Properties

Compound Nametrimethylsilyl (E)-14-methylpentadec-6-enoate
PubChem CID5352343
Molecular FormulaC19H38O2Si
Molecular Weight326.60 g/mol
Exact Mass326.26
IUPAC Nametrimethylsilyl (E)-14-methylpentadec-6-enoate
SMILESCC(C)CCCCCC/C=C/CCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C19H38O2Si/c1-18(2)16-14-12-10-8-6-7-9-11-13-15-17-19(20)21-22(3,4)5/h7,9,18H,6,8,10-17H2,1-5H3/b9-7+
InChIKeyQZAOISHUKVAVTP-VQHVLOKHSA-N
XLogP6.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.60
LogP ≤ 56.48
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
Trimethylsilyl (9E)-9-octadecenoate
CID 5352431
Palmitoleic acid trimethylsilyl ester
CID 5352900
tert-Butyldimethylsilyl oleate
CID 71571457
17-methyl-6Z-octadecenoic acid
CID 5282256
11-Methyloctadec-12-enoic acid trimethylsilyl ester
CID 129821971
17-Methyloctadec-6-enoic acid
CID 656735
15-Methyl-6-hexadecenoic acid
CID 21953383
15-Methylhexadec-6-enoic acid
CID 71344360
16-methyl-6Z,9Z-heptadecadienoic acid
CID 5312303

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (E)-14-methylpentadec-6-enoate?
The IUPAC name of trimethylsilyl (E)-14-methylpentadec-6-enoate (CID 5352343) is trimethylsilyl (E)-14-methylpentadec-6-enoate.
What is the SMILES notation for trimethylsilyl (E)-14-methylpentadec-6-enoate?
The canonical SMILES for trimethylsilyl (E)-14-methylpentadec-6-enoate is CC(C)CCCCCC/C=C/CCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (E)-14-methylpentadec-6-enoate?
The InChIKey is QZAOISHUKVAVTP-VQHVLOKHSA-N. The full InChI is InChI=1S/C19H38O2Si/c1-18(2)16-14-12-10-8-6-7-9-11-13-15-17-19(20)21-22(3,4)5/h7,9,18H,6,8,10-17H2,1-5H3/b9-7+.
What are the key properties of trimethylsilyl (E)-14-methylpentadec-6-enoate?
trimethylsilyl (E)-14-methylpentadec-6-enoate has a molecular weight of 326.60 g/mol, XLogP of 6.48, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (E)-14-methylpentadec-6-enoate is sourced from PubChem (CID 5352343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).