5-iodopent-1-enylboronic acid

C5H10BIO2 — CID 54539048

IUPAC5-iodopent-1-enylboronic acid
SMILESOB(O)C=CCCCI
InChIInChI=1S/C5H10BIO2/c7-5-3-1-2-4-6(8)9/h2,4,8-9H,1,3,5H2
InChIKeyZBVKSCKRJOATIB-UHFFFAOYSA-N
MW239.85 g/mol
LogP0.77
Rot. Bonds4

About 5-iodopent-1-enylboronic acid

5-iodopent-1-enylboronic acid (PubChem CID 54539048) has the molecular formula C5H10BIO2 and a molecular weight of 239.85 g/mol. Its IUPAC name is 5-iodopent-1-enylboronic acid.

Molecular Properties

Compound Name5-iodopent-1-enylboronic acid
PubChem CID54539048
Molecular FormulaC5H10BIO2
Molecular Weight239.85 g/mol
Exact Mass239.98
IUPAC Name5-iodopent-1-enylboronic acid
SMILESOB(O)C=CCCCI
InChIInChI=1S/C5H10BIO2/c7-5-3-1-2-4-6(8)9/h2,4,8-9H,1,3,5H2
InChIKeyZBVKSCKRJOATIB-UHFFFAOYSA-N
XLogP0.77
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.85
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-11-hydroxyundec-1-enyl]boronic acid
CID 10987620
hept-1-enylboronic acid
CID 2773442
9-iodonona-1,5-diene
CID 163737903
(E)-12-iodododec-3-en-1-ol
CID 163205046
(E)-7-iodohept-4-en-1-ol
CID 6376837
(7-iodo-2-methylidenehept-3-enyl)-trimethylsilane
CID 71446219
8,8,9,9,9-pentafluoro-1-iodonon-4-ene
CID 74432309
(7Z,11Z)-octadeca-7,11-diene-1,18-diol
CID 171904791
N-[(E)-8-iodooct-4-enyl]prop-2-enamide
CID 10990443
6-iodo-N-propan-2-ylhex-2-enamide
CID 139665458
1-chloro-12-iodododec-2-ene
CID 171472192
1-iodooctadec-9-ene
CID 54335448

Frequently Asked Questions

What is the IUPAC name of 5-iodopent-1-enylboronic acid?
The IUPAC name of 5-iodopent-1-enylboronic acid (CID 54539048) is 5-iodopent-1-enylboronic acid.
What is the SMILES notation for 5-iodopent-1-enylboronic acid?
The canonical SMILES for 5-iodopent-1-enylboronic acid is OB(O)C=CCCCI.
What is the InChIKey of 5-iodopent-1-enylboronic acid?
The InChIKey is ZBVKSCKRJOATIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BIO2/c7-5-3-1-2-4-6(8)9/h2,4,8-9H,1,3,5H2.
What are the key properties of 5-iodopent-1-enylboronic acid?
5-iodopent-1-enylboronic acid has a molecular weight of 239.85 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodopent-1-enylboronic acid is sourced from PubChem (CID 54539048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).