tert-butyl-dimethyl-[(E)-3-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)undec-4-en-2-yl]oxysilane

C24H47BO3Si — CID 102396879

IUPACtert-butyl-dimethyl-[(E)-3-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)undec-4-en-2-yl]oxysilane
SMILESC=C(/C(=C/CCCCCC)B1OC(C)(C)C(C)(C)O1)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H47BO3Si/c1-13-14-15-16-17-18-21(25-27-23(7,8)24(9,10)28-25)19(2)20(3)26-29(11,12)22(4,5)6/h18,20H,2,13-17H2,1,3-12H3/b21-18-
InChIKeyNNEYSIKTQVILQY-UZYVYHOESA-N
MW422.54 g/mol
LogP7.48
Rot. Bonds10

About tert-butyl-dimethyl-[(E)-3-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)undec-4-en-2-yl]oxysilane

tert-butyl-dimethyl-[(E)-3-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)undec-4-en-2-yl]oxysilane (PubChem CID 102396879) has the molecular formula C24H47BO3Si and a molecular weight of 422.54 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-3-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)undec-4-en-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-3-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)undec-4-en-2-yl]oxysilane
PubChem CID102396879
Molecular FormulaC24H47BO3Si
Molecular Weight422.54 g/mol
Exact Mass422.34
IUPAC Nametert-butyl-dimethyl-[(E)-3-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)undec-4-en-2-yl]oxysilane
SMILESC=C(/C(=C/CCCCCC)B1OC(C)(C)C(C)(C)O1)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H47BO3Si/c1-13-14-15-16-17-18-21(25-27-23(7,8)24(9,10)28-25)19(2)20(3)26-29(11,12)22(4,5)6/h18,20H,2,13-17H2,1,3-12H3/b21-18-
InChIKeyNNEYSIKTQVILQY-UZYVYHOESA-N
XLogP7.48
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.54
LogP ≤ 57.48
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E)-3-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)undec-4-en-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(E)-3-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)undec-4-en-2-yl]oxysilane (CID 102396879) is tert-butyl-dimethyl-[(E)-3-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)undec-4-en-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-3-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)undec-4-en-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-3-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)undec-4-en-2-yl]oxysilane is C=C(/C(=C/CCCCCC)B1OC(C)(C)C(C)(C)O1)C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E)-3-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)undec-4-en-2-yl]oxysilane?
The InChIKey is NNEYSIKTQVILQY-UZYVYHOESA-N. The full InChI is InChI=1S/C24H47BO3Si/c1-13-14-15-16-17-18-21(25-27-23(7,8)24(9,10)28-25)19(2)20(3)26-29(11,12)22(4,5)6/h18,20H,2,13-17H2,1,3-12H3/b21-18-.
What are the key properties of tert-butyl-dimethyl-[(E)-3-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)undec-4-en-2-yl]oxysilane?
tert-butyl-dimethyl-[(E)-3-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)undec-4-en-2-yl]oxysilane has a molecular weight of 422.54 g/mol, XLogP of 7.48, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-3-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)undec-4-en-2-yl]oxysilane is sourced from PubChem (CID 102396879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).