[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-5-en-4-yl] acetate

C24H47BO5Si — CID 102140932

IUPAC[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-5-en-4-yl] acetate
SMILESCCCC/C(=C\C(CCCO[Si](C)(C)C(C)(C)C)OC(C)=O)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C24H47BO5Si/c1-12-13-15-20(25-29-23(6,7)24(8,9)30-25)18-21(28-19(2)26)16-14-17-27-31(10,11)22(3,4)5/h18,21H,12-17H2,1-11H3/b20-18+
InChIKeyITWMSQVCBQXGBH-CZIZESTLSA-N
MW454.53 g/mol
LogP6.47
Rot. Bonds11

About [(Z)-1-[tert-butyl(dimethyl)silyl]oxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-5-en-4-yl] acetate

[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-5-en-4-yl] acetate (PubChem CID 102140932) has the molecular formula C24H47BO5Si and a molecular weight of 454.53 g/mol. Its IUPAC name is [(Z)-1-[tert-butyl(dimethyl)silyl]oxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-5-en-4-yl] acetate.

Molecular Properties

Compound Name[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-5-en-4-yl] acetate
PubChem CID102140932
Molecular FormulaC24H47BO5Si
Molecular Weight454.53 g/mol
Exact Mass454.33
IUPAC Name[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-5-en-4-yl] acetate
SMILESCCCC/C(=C\C(CCCO[Si](C)(C)C(C)(C)C)OC(C)=O)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C24H47BO5Si/c1-12-13-15-20(25-29-23(6,7)24(8,9)30-25)18-21(28-19(2)26)16-14-17-27-31(10,11)22(3,4)5/h18,21H,12-17H2,1-11H3/b20-18+
InChIKeyITWMSQVCBQXGBH-CZIZESTLSA-N
XLogP6.47
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-[tert-butyl(dimethyl)silyl]oxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-5-en-4-yl] acetate?
The IUPAC name of [(Z)-1-[tert-butyl(dimethyl)silyl]oxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-5-en-4-yl] acetate (CID 102140932) is [(Z)-1-[tert-butyl(dimethyl)silyl]oxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-5-en-4-yl] acetate.
What is the SMILES notation for [(Z)-1-[tert-butyl(dimethyl)silyl]oxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-5-en-4-yl] acetate?
The canonical SMILES for [(Z)-1-[tert-butyl(dimethyl)silyl]oxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-5-en-4-yl] acetate is CCCC/C(=C\C(CCCO[Si](C)(C)C(C)(C)C)OC(C)=O)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of [(Z)-1-[tert-butyl(dimethyl)silyl]oxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-5-en-4-yl] acetate?
The InChIKey is ITWMSQVCBQXGBH-CZIZESTLSA-N. The full InChI is InChI=1S/C24H47BO5Si/c1-12-13-15-20(25-29-23(6,7)24(8,9)30-25)18-21(28-19(2)26)16-14-17-27-31(10,11)22(3,4)5/h18,21H,12-17H2,1-11H3/b20-18+.
What are the key properties of [(Z)-1-[tert-butyl(dimethyl)silyl]oxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-5-en-4-yl] acetate?
[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-5-en-4-yl] acetate has a molecular weight of 454.53 g/mol, XLogP of 6.47, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-[tert-butyl(dimethyl)silyl]oxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-5-en-4-yl] acetate is sourced from PubChem (CID 102140932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).