tert-butyl-dimethyl-[(3E,5E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-3,5-dienoxy]silane

C19H37BO3Si — CID 102031024

IUPACtert-butyl-dimethyl-[(3E,5E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-3,5-dienoxy]silane
SMILESC/C(=C/C=C/CCO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C19H37BO3Si/c1-16(20-22-18(5,6)19(7,8)23-20)14-12-11-13-15-21-24(9,10)17(2,3)4/h11-12,14H,13,15H2,1-10H3/b12-11+,16-14-
InChIKeyHFTXXTJAOLYYEQ-SCKUGUCZSA-N
MW352.40 g/mol
LogP5.53
Rot. Bonds6

About tert-butyl-dimethyl-[(3E,5E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-3,5-dienoxy]silane

tert-butyl-dimethyl-[(3E,5E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-3,5-dienoxy]silane (PubChem CID 102031024) has the molecular formula C19H37BO3Si and a molecular weight of 352.40 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3E,5E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-3,5-dienoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3E,5E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-3,5-dienoxy]silane
PubChem CID102031024
Molecular FormulaC19H37BO3Si
Molecular Weight352.40 g/mol
Exact Mass352.26
IUPAC Nametert-butyl-dimethyl-[(3E,5E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-3,5-dienoxy]silane
SMILESC/C(=C/C=C/CCO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C19H37BO3Si/c1-16(20-22-18(5,6)19(7,8)23-20)14-12-11-13-15-21-24(9,10)17(2,3)4/h11-12,14H,13,15H2,1-10H3/b12-11+,16-14-
InChIKeyHFTXXTJAOLYYEQ-SCKUGUCZSA-N
XLogP5.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.40
LogP ≤ 55.53
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-[(3E,5E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-3,5-dienoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(3E,5E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-3,5-dienoxy]silane (CID 102031024) is tert-butyl-dimethyl-[(3E,5E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-3,5-dienoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(3E,5E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-3,5-dienoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(3E,5E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-3,5-dienoxy]silane is C/C(=C/C=C/CCO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of tert-butyl-dimethyl-[(3E,5E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-3,5-dienoxy]silane?
The InChIKey is HFTXXTJAOLYYEQ-SCKUGUCZSA-N. The full InChI is InChI=1S/C19H37BO3Si/c1-16(20-22-18(5,6)19(7,8)23-20)14-12-11-13-15-21-24(9,10)17(2,3)4/h11-12,14H,13,15H2,1-10H3/b12-11+,16-14-.
What are the key properties of tert-butyl-dimethyl-[(3E,5E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-3,5-dienoxy]silane?
tert-butyl-dimethyl-[(3E,5E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-3,5-dienoxy]silane has a molecular weight of 352.40 g/mol, XLogP of 5.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3E,5E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-3,5-dienoxy]silane is sourced from PubChem (CID 102031024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).