[(2Z)-penta-2,4-dien-2-yl]boronic acid

C5H9BO2 — CID 89434988

IUPAC[(2Z)-penta-2,4-dien-2-yl]boronic acid
SMILESC=C/C=C(\C)B(O)O
InChIInChI=1S/C5H9BO2/c1-3-4-5(2)6(7)8/h3-4,7-8H,1H2,2H3/b5-4+
InChIKeyVWPRMUYDABMMEO-SNAWJCMRSA-N
MW111.94 g/mol
LogP0.13
Rot. Bonds2

About [(2Z)-penta-2,4-dien-2-yl]boronic acid

[(2Z)-penta-2,4-dien-2-yl]boronic acid (PubChem CID 89434988) has the molecular formula C5H9BO2 and a molecular weight of 111.94 g/mol. Its IUPAC name is [(2Z)-penta-2,4-dien-2-yl]boronic acid.

Molecular Properties

Compound Name[(2Z)-penta-2,4-dien-2-yl]boronic acid
PubChem CID89434988
Molecular FormulaC5H9BO2
Molecular Weight111.94 g/mol
Exact Mass112.07
IUPAC Name[(2Z)-penta-2,4-dien-2-yl]boronic acid
SMILESC=C/C=C(\C)B(O)O
InChIInChI=1S/C5H9BO2/c1-3-4-5(2)6(7)8/h3-4,7-8H,1H2,2H3/b5-4+
InChIKeyVWPRMUYDABMMEO-SNAWJCMRSA-N
XLogP0.13
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.94
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2Z,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]boronic acid
CID 146760706
[(2Z,4E)-5-sulfamoylhepta-2,4,6-trien-2-yl]boronic acid
CID 89369227
ethane;[(3Z)-5-methylidene-6-oxohepta-1,3-dien-4-yl]boronic acid
CID 162724442
(3E)-3-iodo-2-methylhexa-1,3,5-triene
CID 122592605
(3E)-3-methylhexa-1,3,5-triene
CID 5367380
(2E)-2-methylpenta-2,4-diene-1,1-diol
CID 142275116
ethane;ethene;(3Z)-3-methylhexa-1,3,5-triene
CID 145383595
acetic acid;buta-1,3-diene-1,1-diol
CID 174422990
buta-1,3-diene;bis(2-methylprop-1-ene)
CID 157325462
boric acid;fluoroethene
CID 159162252
(2S)-3-methylhexa-3,5-dien-2-ol
CID 91237293
(2E)-penta-2,4-dien-2-amine;propane
CID 143277472

Frequently Asked Questions

What is the IUPAC name of [(2Z)-penta-2,4-dien-2-yl]boronic acid?
The IUPAC name of [(2Z)-penta-2,4-dien-2-yl]boronic acid (CID 89434988) is [(2Z)-penta-2,4-dien-2-yl]boronic acid.
What is the SMILES notation for [(2Z)-penta-2,4-dien-2-yl]boronic acid?
The canonical SMILES for [(2Z)-penta-2,4-dien-2-yl]boronic acid is C=C/C=C(\C)B(O)O.
What is the InChIKey of [(2Z)-penta-2,4-dien-2-yl]boronic acid?
The InChIKey is VWPRMUYDABMMEO-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H9BO2/c1-3-4-5(2)6(7)8/h3-4,7-8H,1H2,2H3/b5-4+.
What are the key properties of [(2Z)-penta-2,4-dien-2-yl]boronic acid?
[(2Z)-penta-2,4-dien-2-yl]boronic acid has a molecular weight of 111.94 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-penta-2,4-dien-2-yl]boronic acid is sourced from PubChem (CID 89434988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).