trimethylsilyl undec-10-enoate

C14H28O2Si — CID 552417

IUPACtrimethylsilyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C14H28O2Si/c1-5-6-7-8-9-10-11-12-13-14(15)16-17(2,3)4/h5H,1,6-13H2,2-4H3
InChIKeyVMXRWOBZWPBJEY-UHFFFAOYSA-N
MW256.46 g/mol
LogP4.67
Rot. Bonds10

About trimethylsilyl undec-10-enoate

trimethylsilyl undec-10-enoate (PubChem CID 552417) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is trimethylsilyl undec-10-enoate.

Molecular Properties

Compound Nametrimethylsilyl undec-10-enoate
PubChem CID552417
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Nametrimethylsilyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C14H28O2Si/c1-5-6-7-8-9-10-11-12-13-14(15)16-17(2,3)4/h5H,1,6-13H2,2-4H3
InChIKeyVMXRWOBZWPBJEY-UHFFFAOYSA-N
XLogP4.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.67
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 undec-10-enoate?
The IUPAC name of trimethylsilyl undec-10-enoate (CID 552417) is trimethylsilyl undec-10-enoate.
What is the SMILES notation for trimethylsilyl undec-10-enoate?
The canonical SMILES for trimethylsilyl undec-10-enoate is C=CCCCCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl undec-10-enoate?
The InChIKey is VMXRWOBZWPBJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-5-6-7-8-9-10-11-12-13-14(15)16-17(2,3)4/h5H,1,6-13H2,2-4H3.
What are the key properties of trimethylsilyl undec-10-enoate?
trimethylsilyl undec-10-enoate has a molecular weight of 256.46 g/mol, XLogP of 4.67, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl undec-10-enoate is sourced from PubChem (CID 552417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).