methyl 11-[tert-butyl(dimethyl)silyl]oxyundec-9-ynoate

C18H34O3Si — CID 134843520

IUPACmethyl 11-[tert-butyl(dimethyl)silyl]oxyundec-9-ynoate
SMILESCOC(=O)CCCCCCCC#CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O3Si/c1-18(2,3)22(5,6)21-16-14-12-10-8-7-9-11-13-15-17(19)20-4/h7-11,13,15-16H2,1-6H3
InChIKeyJAPOROHYDCRPCQ-UHFFFAOYSA-N
MW326.55 g/mol
LogP4.92
Rot. Bonds9

About methyl 11-[tert-butyl(dimethyl)silyl]oxyundec-9-ynoate

methyl 11-[tert-butyl(dimethyl)silyl]oxyundec-9-ynoate (PubChem CID 134843520) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is methyl 11-[tert-butyl(dimethyl)silyl]oxyundec-9-ynoate.

Molecular Properties

Compound Namemethyl 11-[tert-butyl(dimethyl)silyl]oxyundec-9-ynoate
PubChem CID134843520
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Namemethyl 11-[tert-butyl(dimethyl)silyl]oxyundec-9-ynoate
SMILESCOC(=O)CCCCCCCC#CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O3Si/c1-18(2,3)22(5,6)21-16-14-12-10-8-7-9-11-13-15-17(19)20-4/h7-11,13,15-16H2,1-6H3
InChIKeyJAPOROHYDCRPCQ-UHFFFAOYSA-N
XLogP4.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 11-[tert-butyl(dimethyl)silyl]oxyundec-9-ynoate?
The IUPAC name of methyl 11-[tert-butyl(dimethyl)silyl]oxyundec-9-ynoate (CID 134843520) is methyl 11-[tert-butyl(dimethyl)silyl]oxyundec-9-ynoate.
What is the SMILES notation for methyl 11-[tert-butyl(dimethyl)silyl]oxyundec-9-ynoate?
The canonical SMILES for methyl 11-[tert-butyl(dimethyl)silyl]oxyundec-9-ynoate is COC(=O)CCCCCCCC#CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 11-[tert-butyl(dimethyl)silyl]oxyundec-9-ynoate?
The InChIKey is JAPOROHYDCRPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-18(2,3)22(5,6)21-16-14-12-10-8-7-9-11-13-15-17(19)20-4/h7-11,13,15-16H2,1-6H3.
What are the key properties of methyl 11-[tert-butyl(dimethyl)silyl]oxyundec-9-ynoate?
methyl 11-[tert-butyl(dimethyl)silyl]oxyundec-9-ynoate has a molecular weight of 326.55 g/mol, XLogP of 4.92, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 11-[tert-butyl(dimethyl)silyl]oxyundec-9-ynoate is sourced from PubChem (CID 134843520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).