(E)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-enenitrile

C17H32BNO3Si — CID 56945597

IUPAC(E)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-enenitrile
SMILESCC(C)O[Si](C)(C)C/C(=C/CCC#N)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H32BNO3Si/c1-14(2)20-23(7,8)13-15(11-9-10-12-19)18-21-16(3,4)17(5,6)22-18/h11,14H,9-10,13H2,1-8H3/b15-11-
InChIKeyIVFGTDMLWGBJAH-PTNGSMBKSA-N
MW337.35 g/mol
LogP4.48
Rot. Bonds7

About (E)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-enenitrile

(E)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-enenitrile (PubChem CID 56945597) has the molecular formula C17H32BNO3Si and a molecular weight of 337.35 g/mol. Its IUPAC name is (E)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-enenitrile.

Molecular Properties

Compound Name(E)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-enenitrile
PubChem CID56945597
Molecular FormulaC17H32BNO3Si
Molecular Weight337.35 g/mol
Exact Mass337.22
IUPAC Name(E)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-enenitrile
SMILESCC(C)O[Si](C)(C)C/C(=C/CCC#N)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H32BNO3Si/c1-14(2)20-23(7,8)13-15(11-9-10-12-19)18-21-16(3,4)17(5,6)22-18/h11,14H,9-10,13H2,1-8H3/b15-11-
InChIKeyIVFGTDMLWGBJAH-PTNGSMBKSA-N
XLogP4.48
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-enenitrile with MolForge

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

Launch Full Analysis

Related Compounds

(E)-5-[dimethyl(propan-2-yloxy)silyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enenitrile
CID 24850805
(E)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enenitrile
CID 56945596
dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enyl]silane
CID 101555549
(Z)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-enenitrile
CID 101555550
(Z)-5-[dimethyl(propan-2-yloxy)silyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enenitrile
CID 135062204
dimethyl-propan-2-yloxy-[(Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enyl]silane
CID 154720743
tert-butyl-dimethyl-[(Z,2R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-en-2-yl]oxysilane
CID 122404223
tert-butyl-dimethyl-[(Z,2S)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-en-2-yl]oxysilane
CID 122404224

Frequently Asked Questions

What is the IUPAC name of (E)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-enenitrile?
The IUPAC name of (E)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-enenitrile (CID 56945597) is (E)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-enenitrile.
What is the SMILES notation for (E)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-enenitrile?
The canonical SMILES for (E)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-enenitrile is CC(C)O[Si](C)(C)C/C(=C/CCC#N)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of (E)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-enenitrile?
The InChIKey is IVFGTDMLWGBJAH-PTNGSMBKSA-N. The full InChI is InChI=1S/C17H32BNO3Si/c1-14(2)20-23(7,8)13-15(11-9-10-12-19)18-21-16(3,4)17(5,6)22-18/h11,14H,9-10,13H2,1-8H3/b15-11-.
What are the key properties of (E)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-enenitrile?
(E)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-enenitrile has a molecular weight of 337.35 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-enenitrile is sourced from PubChem (CID 56945597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).