trimethylsilyl (E)-hexadec-6-enoate

C19H38O2Si — CID 5352341

IUPACtrimethylsilyl (E)-hexadec-6-enoate
SMILESCCCCCCCCC/C=C/CCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C19H38O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-22(2,3)4/h13-14H,5-12,15-18H2,1-4H3/b14-13+
InChIKeyJSIAKNWXMMNRSV-BUHFOSPRSA-N
MW326.60 g/mol
LogP6.62
Rot. Bonds14

About trimethylsilyl (E)-hexadec-6-enoate

trimethylsilyl (E)-hexadec-6-enoate (PubChem CID 5352341) has the molecular formula C19H38O2Si and a molecular weight of 326.60 g/mol. Its IUPAC name is trimethylsilyl (E)-hexadec-6-enoate.

Molecular Properties

Compound Nametrimethylsilyl (E)-hexadec-6-enoate
PubChem CID5352341
Molecular FormulaC19H38O2Si
Molecular Weight326.60 g/mol
Exact Mass326.26
IUPAC Nametrimethylsilyl (E)-hexadec-6-enoate
SMILESCCCCCCCCC/C=C/CCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C19H38O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-22(2,3)4/h13-14H,5-12,15-18H2,1-4H3/b14-13+
InChIKeyJSIAKNWXMMNRSV-BUHFOSPRSA-N
XLogP6.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.60
LogP ≤ 56.62
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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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (E)-hexadec-6-enoate?
The IUPAC name of trimethylsilyl (E)-hexadec-6-enoate (CID 5352341) is trimethylsilyl (E)-hexadec-6-enoate.
What is the SMILES notation for trimethylsilyl (E)-hexadec-6-enoate?
The canonical SMILES for trimethylsilyl (E)-hexadec-6-enoate is CCCCCCCCC/C=C/CCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (E)-hexadec-6-enoate?
The InChIKey is JSIAKNWXMMNRSV-BUHFOSPRSA-N. The full InChI is InChI=1S/C19H38O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-22(2,3)4/h13-14H,5-12,15-18H2,1-4H3/b14-13+.
What are the key properties of trimethylsilyl (E)-hexadec-6-enoate?
trimethylsilyl (E)-hexadec-6-enoate has a molecular weight of 326.60 g/mol, XLogP of 6.62, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (E)-hexadec-6-enoate is sourced from PubChem (CID 5352341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).