tert-butyl-dimethyl-[(E)-3-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane

C18H35BO3Si — CID 134999863

IUPACtert-butyl-dimethyl-[(E)-3-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane
SMILESC=C(/C=C/B1OC(C)(C)C(C)(C)O1)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H35BO3Si/c1-15(12-14-20-23(9,10)16(2,3)4)11-13-19-21-17(5,6)18(7,8)22-19/h11,13H,1,12,14H2,2-10H3/b13-11+
InChIKeyDKIZRIZUFHOPPY-ACCUITESSA-N
MW338.37 g/mol
LogP5.14
Rot. Bonds6

About tert-butyl-dimethyl-[(E)-3-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane

tert-butyl-dimethyl-[(E)-3-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane (PubChem CID 134999863) has the molecular formula C18H35BO3Si and a molecular weight of 338.37 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-3-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-3-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane
PubChem CID134999863
Molecular FormulaC18H35BO3Si
Molecular Weight338.37 g/mol
Exact Mass338.24
IUPAC Nametert-butyl-dimethyl-[(E)-3-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane
SMILESC=C(/C=C/B1OC(C)(C)C(C)(C)O1)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H35BO3Si/c1-15(12-14-20-23(9,10)16(2,3)4)11-13-19-21-17(5,6)18(7,8)22-19/h11,13H,1,12,14H2,2-10H3/b13-11+
InChIKeyDKIZRIZUFHOPPY-ACCUITESSA-N
XLogP5.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.37
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[(E)-3-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E)-3-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-3-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane (CID 134999863) is tert-butyl-dimethyl-[(E)-3-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-3-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-3-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane is C=C(/C=C/B1OC(C)(C)C(C)(C)O1)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E)-3-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane?
The InChIKey is DKIZRIZUFHOPPY-ACCUITESSA-N. The full InChI is InChI=1S/C18H35BO3Si/c1-15(12-14-20-23(9,10)16(2,3)4)11-13-19-21-17(5,6)18(7,8)22-19/h11,13H,1,12,14H2,2-10H3/b13-11+.
What are the key properties of tert-butyl-dimethyl-[(E)-3-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane?
tert-butyl-dimethyl-[(E)-3-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane has a molecular weight of 338.37 g/mol, XLogP of 5.14, 6 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-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane is sourced from PubChem (CID 134999863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).