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

C17H32BNO3Si — CID 56945596

IUPAC(E)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enenitrile
SMILESCC(C)O[Si](C)(C)/C=C(/CCCC#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/h13-14H,9-11H2,1-8H3/b15-13-
InChIKeyXJQLRTWWZPVNEI-SQFISAMPSA-N
MW337.35 g/mol
LogP4.41
Rot. Bonds7

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

(E)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enenitrile (PubChem CID 56945596) 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-5-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-5-enenitrile
PubChem CID56945596
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-5-enenitrile
SMILESCC(C)O[Si](C)(C)/C=C(/CCCC#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/h13-14H,9-11H2,1-8H3/b15-13-
InChIKeyXJQLRTWWZPVNEI-SQFISAMPSA-N
XLogP4.41
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 ≤ 54.41
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'}

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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-4-enenitrile
CID 56945597
(Z)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-enenitrile
CID 101555550
dimethyl-propan-2-yloxy-[(E)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-yl]silane
CID 102103750
(E)-5-[chloro(dimethyl)silyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enenitrile
CID 102111322
(Z)-5-[chloro(dimethyl)silyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enenitrile
CID 135007772
(E)-6-[chloro(dimethyl)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enenitrile
CID 135008076
(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-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-enyl]silane
CID 154711240
4-(2,2,7,7,8,8-Hexamethyl-1,6,9-trioxa-2-sila-5-boranuidaspiro[4.4]non-3-en-3-yl)butanenitrile
CID 102111315
(2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pentanenitrile
CID 177608393

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-5-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-5-enenitrile (CID 56945596) is (E)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-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-5-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-5-enenitrile is CC(C)O[Si](C)(C)/C=C(/CCCC#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-5-enenitrile?
The InChIKey is XJQLRTWWZPVNEI-SQFISAMPSA-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/h13-14H,9-11H2,1-8H3/b15-13-.
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-5-enenitrile?
(E)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enenitrile has a molecular weight of 337.35 g/mol, XLogP of 4.41, 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-5-enenitrile is sourced from PubChem (CID 56945596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).