methyl (Z)-3-ethenyl-2-trimethylsilyltridec-3-enoate

C19H36O2Si — CID 71578405

IUPACmethyl (Z)-3-ethenyl-2-trimethylsilyltridec-3-enoate
SMILESC=C/C(=C/CCCCCCCCC)C(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C19H36O2Si/c1-7-9-10-11-12-13-14-15-16-17(8-2)18(19(20)21-3)22(4,5)6/h8,16,18H,2,7,9-15H2,1,3-6H3/b17-16-
InChIKeyXFBRZYUUFABZED-MSUUIHNZSA-N
MW324.58 g/mol
LogP6.12
Rot. Bonds12

About methyl (Z)-3-ethenyl-2-trimethylsilyltridec-3-enoate

methyl (Z)-3-ethenyl-2-trimethylsilyltridec-3-enoate (PubChem CID 71578405) has the molecular formula C19H36O2Si and a molecular weight of 324.58 g/mol. Its IUPAC name is methyl (Z)-3-ethenyl-2-trimethylsilyltridec-3-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-ethenyl-2-trimethylsilyltridec-3-enoate
PubChem CID71578405
Molecular FormulaC19H36O2Si
Molecular Weight324.58 g/mol
Exact Mass324.25
IUPAC Namemethyl (Z)-3-ethenyl-2-trimethylsilyltridec-3-enoate
SMILESC=C/C(=C/CCCCCCCCC)C(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C19H36O2Si/c1-7-9-10-11-12-13-14-15-16-17(8-2)18(19(20)21-3)22(4,5)6/h8,16,18H,2,7,9-15H2,1,3-6H3/b17-16-
InChIKeyXFBRZYUUFABZED-MSUUIHNZSA-N
XLogP6.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.58
LogP ≤ 56.12
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-ethenyl-2-trimethylsilyltridec-3-enoate?
The IUPAC name of methyl (Z)-3-ethenyl-2-trimethylsilyltridec-3-enoate (CID 71578405) is methyl (Z)-3-ethenyl-2-trimethylsilyltridec-3-enoate.
What is the SMILES notation for methyl (Z)-3-ethenyl-2-trimethylsilyltridec-3-enoate?
The canonical SMILES for methyl (Z)-3-ethenyl-2-trimethylsilyltridec-3-enoate is C=C/C(=C/CCCCCCCCC)C(C(=O)OC)[Si](C)(C)C.
What is the InChIKey of methyl (Z)-3-ethenyl-2-trimethylsilyltridec-3-enoate?
The InChIKey is XFBRZYUUFABZED-MSUUIHNZSA-N. The full InChI is InChI=1S/C19H36O2Si/c1-7-9-10-11-12-13-14-15-16-17(8-2)18(19(20)21-3)22(4,5)6/h8,16,18H,2,7,9-15H2,1,3-6H3/b17-16-.
What are the key properties of methyl (Z)-3-ethenyl-2-trimethylsilyltridec-3-enoate?
methyl (Z)-3-ethenyl-2-trimethylsilyltridec-3-enoate has a molecular weight of 324.58 g/mol, XLogP of 6.12, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-ethenyl-2-trimethylsilyltridec-3-enoate is sourced from PubChem (CID 71578405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).