(2E,4Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienenitrile

C11H16BNO2 — CID 102423733

IUPAC(2E,4Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienenitrile
SMILESCC1(C)OB(/C=C\C=C\C#N)OC1(C)C
InChIInChI=1S/C11H16BNO2/c1-10(2)11(3,4)15-12(14-10)8-6-5-7-9-13/h5-8H,1-4H3/b7-5+,8-6-
InChIKeyFMNKUKRVCDNBBZ-YMBWGVAGSA-N
MW205.07 g/mol
LogP2.25
Rot. Bonds2

About (2E,4Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienenitrile

(2E,4Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienenitrile (PubChem CID 102423733) has the molecular formula C11H16BNO2 and a molecular weight of 205.07 g/mol. Its IUPAC name is (2E,4Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienenitrile.

Molecular Properties

Compound Name(2E,4Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienenitrile
PubChem CID102423733
Molecular FormulaC11H16BNO2
Molecular Weight205.07 g/mol
Exact Mass205.13
IUPAC Name(2E,4Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienenitrile
SMILESCC1(C)OB(/C=C\C=C\C#N)OC1(C)C
InChIInChI=1S/C11H16BNO2/c1-10(2)11(3,4)15-12(14-10)8-6-5-7-9-13/h5-8H,1-4H3/b7-5+,8-6-
InChIKeyFMNKUKRVCDNBBZ-YMBWGVAGSA-N
XLogP2.25
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.07
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E,4Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienenitrile 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

2-[(1E,3E)-4-methoxybuta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 101232654
(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenol
CID 166102136
4,4,5,5-tetramethyl-2-[(1Z,3E)-4-phenylbuta-1,3-dienyl]-1,3,2-dioxaborolane
CID 100969380
2-[(1E,3E,5E)-deca-1,3,5-trienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102349997
2-[(1E,3E,11Z)-icosa-1,3,11-trienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 101160797
trimethyl-[(E)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-en-1-ynyl]silane
CID 11054535
trimethyl-[(Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-en-1-ynyl]silane
CID 10999910
4,4,5,5-tetramethyl-2-(3-methylpent-1-enyl)-1,3,2-dioxaborolane
CID 85151128
2-(3-bromoprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 71332875
5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]furan-2-carbonitrile
CID 165471139
2-[(E)-5-chloropent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11128132
4,4,5,5-tetramethyl-2-[(1E,3E)-6-phenylhexa-1,3-dienyl]-1,3,2-dioxaborolane
CID 12023376

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienenitrile?
The IUPAC name of (2E,4Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienenitrile (CID 102423733) is (2E,4Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienenitrile.
What is the SMILES notation for (2E,4Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienenitrile?
The canonical SMILES for (2E,4Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienenitrile is CC1(C)OB(/C=C\C=C\C#N)OC1(C)C.
What is the InChIKey of (2E,4Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienenitrile?
The InChIKey is FMNKUKRVCDNBBZ-YMBWGVAGSA-N. The full InChI is InChI=1S/C11H16BNO2/c1-10(2)11(3,4)15-12(14-10)8-6-5-7-9-13/h5-8H,1-4H3/b7-5+,8-6-.
What are the key properties of (2E,4Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienenitrile?
(2E,4Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienenitrile has a molecular weight of 205.07 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienenitrile is sourced from PubChem (CID 102423733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).