methyl (E)-11-triethylsilylundec-10-enoate

C18H36O2Si — CID 154701885

IUPACmethyl (E)-11-triethylsilylundec-10-enoate
SMILESCC[Si](/C=C/CCCCCCCCC(=O)OC)(CC)CC
InChIInChI=1S/C18H36O2Si/c1-5-21(6-2,7-3)17-15-13-11-9-8-10-12-14-16-18(19)20-4/h15,17H,5-14,16H2,1-4H3/b17-15+
InChIKeyHWBWUGRKHQRBNC-BMRADRMJSA-N
MW312.57 g/mol
LogP5.88
Rot. Bonds13

About methyl (E)-11-triethylsilylundec-10-enoate

methyl (E)-11-triethylsilylundec-10-enoate (PubChem CID 154701885) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is methyl (E)-11-triethylsilylundec-10-enoate.

Molecular Properties

Compound Namemethyl (E)-11-triethylsilylundec-10-enoate
PubChem CID154701885
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Namemethyl (E)-11-triethylsilylundec-10-enoate
SMILESCC[Si](/C=C/CCCCCCCCC(=O)OC)(CC)CC
InChIInChI=1S/C18H36O2Si/c1-5-21(6-2,7-3)17-15-13-11-9-8-10-12-14-16-18(19)20-4/h15,17H,5-14,16H2,1-4H3/b17-15+
InChIKeyHWBWUGRKHQRBNC-BMRADRMJSA-N
XLogP5.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.88
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-11-triethylsilylundec-10-enoate?
The IUPAC name of methyl (E)-11-triethylsilylundec-10-enoate (CID 154701885) is methyl (E)-11-triethylsilylundec-10-enoate.
What is the SMILES notation for methyl (E)-11-triethylsilylundec-10-enoate?
The canonical SMILES for methyl (E)-11-triethylsilylundec-10-enoate is CC[Si](/C=C/CCCCCCCCC(=O)OC)(CC)CC.
What is the InChIKey of methyl (E)-11-triethylsilylundec-10-enoate?
The InChIKey is HWBWUGRKHQRBNC-BMRADRMJSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-5-21(6-2,7-3)17-15-13-11-9-8-10-12-14-16-18(19)20-4/h15,17H,5-14,16H2,1-4H3/b17-15+.
What are the key properties of methyl (E)-11-triethylsilylundec-10-enoate?
methyl (E)-11-triethylsilylundec-10-enoate has a molecular weight of 312.57 g/mol, XLogP of 5.88, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-11-triethylsilylundec-10-enoate is sourced from PubChem (CID 154701885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).