[tert-butyl(dimethyl)silyl] undec-10-enoate

C17H34O2Si — CID 15889797

IUPAC[tert-butyl(dimethyl)silyl] undec-10-enoate
SMILESC=CCCCCCCCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si/c1-7-8-9-10-11-12-13-14-15-16(18)19-20(5,6)17(2,3)4/h7H,1,8-15H2,2-6H3
InChIKeyUNKQCPOHUHBMPF-UHFFFAOYSA-N
MW298.54 g/mol
LogP5.84
Rot. Bonds10

About [tert-butyl(dimethyl)silyl] undec-10-enoate

[tert-butyl(dimethyl)silyl] undec-10-enoate (PubChem CID 15889797) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] undec-10-enoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] undec-10-enoate
PubChem CID15889797
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name[tert-butyl(dimethyl)silyl] undec-10-enoate
SMILESC=CCCCCCCCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si/c1-7-8-9-10-11-12-13-14-15-16(18)19-20(5,6)17(2,3)4/h7H,1,8-15H2,2-6H3
InChIKeyUNKQCPOHUHBMPF-UHFFFAOYSA-N
XLogP5.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.84
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 [tert-butyl(dimethyl)silyl] undec-10-enoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] undec-10-enoate (CID 15889797) is [tert-butyl(dimethyl)silyl] undec-10-enoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] undec-10-enoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] undec-10-enoate is C=CCCCCCCCCC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] undec-10-enoate?
The InChIKey is UNKQCPOHUHBMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-7-8-9-10-11-12-13-14-15-16(18)19-20(5,6)17(2,3)4/h7H,1,8-15H2,2-6H3.
What are the key properties of [tert-butyl(dimethyl)silyl] undec-10-enoate?
[tert-butyl(dimethyl)silyl] undec-10-enoate has a molecular weight of 298.54 g/mol, XLogP of 5.84, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] undec-10-enoate is sourced from PubChem (CID 15889797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).