tert-butyl-dimethyl-[(4E)-3-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nona-4,8-dien-2-yl]oxysilane

C22H41BO3Si — CID 102396900

IUPACtert-butyl-dimethyl-[(4E)-3-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nona-4,8-dien-2-yl]oxysilane
SMILESC=CCC/C=C(\B1OC(C)(C)C(C)(C)O1)C(=C)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H41BO3Si/c1-13-14-15-16-19(23-25-21(7,8)22(9,10)26-23)17(2)18(3)24-27(11,12)20(4,5)6/h13,16,18H,1-2,14-15H2,3-12H3/b19-16-
InChIKeyYIOANRUKAXVTFW-MNDPQUGUSA-N
MW392.47 g/mol
LogP6.48
Rot. Bonds8

About tert-butyl-dimethyl-[(4E)-3-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nona-4,8-dien-2-yl]oxysilane

tert-butyl-dimethyl-[(4E)-3-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nona-4,8-dien-2-yl]oxysilane (PubChem CID 102396900) has the molecular formula C22H41BO3Si and a molecular weight of 392.47 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(4E)-3-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nona-4,8-dien-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(4E)-3-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nona-4,8-dien-2-yl]oxysilane
PubChem CID102396900
Molecular FormulaC22H41BO3Si
Molecular Weight392.47 g/mol
Exact Mass392.29
IUPAC Nametert-butyl-dimethyl-[(4E)-3-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nona-4,8-dien-2-yl]oxysilane
SMILESC=CCC/C=C(\B1OC(C)(C)C(C)(C)O1)C(=C)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H41BO3Si/c1-13-14-15-16-19(23-25-21(7,8)22(9,10)26-23)17(2)18(3)24-27(11,12)20(4,5)6/h13,16,18H,1-2,14-15H2,3-12H3/b19-16-
InChIKeyYIOANRUKAXVTFW-MNDPQUGUSA-N
XLogP6.48
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.47
LogP ≤ 56.48
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': 'isolated_alkene', '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-[(4E)-3-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nona-4,8-dien-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(4E)-3-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nona-4,8-dien-2-yl]oxysilane (CID 102396900) is tert-butyl-dimethyl-[(4E)-3-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nona-4,8-dien-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(4E)-3-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nona-4,8-dien-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(4E)-3-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nona-4,8-dien-2-yl]oxysilane is C=CCC/C=C(\B1OC(C)(C)C(C)(C)O1)C(=C)C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(4E)-3-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nona-4,8-dien-2-yl]oxysilane?
The InChIKey is YIOANRUKAXVTFW-MNDPQUGUSA-N. The full InChI is InChI=1S/C22H41BO3Si/c1-13-14-15-16-19(23-25-21(7,8)22(9,10)26-23)17(2)18(3)24-27(11,12)20(4,5)6/h13,16,18H,1-2,14-15H2,3-12H3/b19-16-.
What are the key properties of tert-butyl-dimethyl-[(4E)-3-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nona-4,8-dien-2-yl]oxysilane?
tert-butyl-dimethyl-[(4E)-3-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nona-4,8-dien-2-yl]oxysilane has a molecular weight of 392.47 g/mol, XLogP of 6.48, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(4E)-3-methylidene-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nona-4,8-dien-2-yl]oxysilane is sourced from PubChem (CID 102396900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).