methyl 2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-hex-5-ynyloct-7-ynoate

C23H38O3Si — CID 71659120

IUPACmethyl 2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-hex-5-ynyloct-7-ynoate
SMILESC#CCCCCC(CCCCC#C)(C(=C)O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C23H38O3Si/c1-10-12-14-16-18-23(21(24)25-7,19-17-15-13-11-2)20(3)26-27(8,9)22(4,5)6/h1-2H,3,12-19H2,4-9H3
InChIKeyFYFGKKRBOADQNU-UHFFFAOYSA-N
MW390.64 g/mol
LogP6.07
Rot. Bonds12

About methyl 2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-hex-5-ynyloct-7-ynoate

methyl 2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-hex-5-ynyloct-7-ynoate (PubChem CID 71659120) has the molecular formula C23H38O3Si and a molecular weight of 390.64 g/mol. Its IUPAC name is methyl 2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-hex-5-ynyloct-7-ynoate.

Molecular Properties

Compound Namemethyl 2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-hex-5-ynyloct-7-ynoate
PubChem CID71659120
Molecular FormulaC23H38O3Si
Molecular Weight390.64 g/mol
Exact Mass390.26
IUPAC Namemethyl 2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-hex-5-ynyloct-7-ynoate
SMILESC#CCCCCC(CCCCC#C)(C(=C)O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C23H38O3Si/c1-10-12-14-16-18-23(21(24)25-7,19-17-15-13-11-2)20(3)26-27(8,9)22(4,5)6/h1-2H,3,12-19H2,4-9H3
InChIKeyFYFGKKRBOADQNU-UHFFFAOYSA-N
XLogP6.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.64
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-hex-5-ynyloct-7-ynoate?
The IUPAC name of methyl 2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-hex-5-ynyloct-7-ynoate (CID 71659120) is methyl 2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-hex-5-ynyloct-7-ynoate.
What is the SMILES notation for methyl 2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-hex-5-ynyloct-7-ynoate?
The canonical SMILES for methyl 2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-hex-5-ynyloct-7-ynoate is C#CCCCCC(CCCCC#C)(C(=C)O[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl 2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-hex-5-ynyloct-7-ynoate?
The InChIKey is FYFGKKRBOADQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O3Si/c1-10-12-14-16-18-23(21(24)25-7,19-17-15-13-11-2)20(3)26-27(8,9)22(4,5)6/h1-2H,3,12-19H2,4-9H3.
What are the key properties of methyl 2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-hex-5-ynyloct-7-ynoate?
methyl 2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-hex-5-ynyloct-7-ynoate has a molecular weight of 390.64 g/mol, XLogP of 6.07, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-hex-5-ynyloct-7-ynoate is sourced from PubChem (CID 71659120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).