methyl 2-trimethylsilyltrideca-2,3-dienoate

C17H32O2Si — CID 71578404

IUPACmethyl 2-trimethylsilyltrideca-2,3-dienoate
SMILESCCCCCCCCCC=C=C(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C17H32O2Si/c1-6-7-8-9-10-11-12-13-14-15-16(17(18)19-2)20(3,4)5/h14H,6-13H2,1-5H3
InChIKeyNFZRKQXUCGGLBG-UHFFFAOYSA-N
MW296.53 g/mol
LogP5.26
Rot. Bonds10

About methyl 2-trimethylsilyltrideca-2,3-dienoate

methyl 2-trimethylsilyltrideca-2,3-dienoate (PubChem CID 71578404) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is methyl 2-trimethylsilyltrideca-2,3-dienoate.

Molecular Properties

Compound Namemethyl 2-trimethylsilyltrideca-2,3-dienoate
PubChem CID71578404
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Namemethyl 2-trimethylsilyltrideca-2,3-dienoate
SMILESCCCCCCCCCC=C=C(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C17H32O2Si/c1-6-7-8-9-10-11-12-13-14-15-16(17(18)19-2)20(3,4)5/h14H,6-13H2,1-5H3
InChIKeyNFZRKQXUCGGLBG-UHFFFAOYSA-N
XLogP5.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.53
LogP ≤ 55.26
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-trimethylsilyltrideca-2,3-dienoate?
The IUPAC name of methyl 2-trimethylsilyltrideca-2,3-dienoate (CID 71578404) is methyl 2-trimethylsilyltrideca-2,3-dienoate.
What is the SMILES notation for methyl 2-trimethylsilyltrideca-2,3-dienoate?
The canonical SMILES for methyl 2-trimethylsilyltrideca-2,3-dienoate is CCCCCCCCCC=C=C(C(=O)OC)[Si](C)(C)C.
What is the InChIKey of methyl 2-trimethylsilyltrideca-2,3-dienoate?
The InChIKey is NFZRKQXUCGGLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-6-7-8-9-10-11-12-13-14-15-16(17(18)19-2)20(3,4)5/h14H,6-13H2,1-5H3.
What are the key properties of methyl 2-trimethylsilyltrideca-2,3-dienoate?
methyl 2-trimethylsilyltrideca-2,3-dienoate has a molecular weight of 296.53 g/mol, XLogP of 5.26, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-trimethylsilyltrideca-2,3-dienoate is sourced from PubChem (CID 71578404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).