oct-1-en-4-ylboronic acid

C8H17BO2 — CID 87441158

IUPACoct-1-en-4-ylboronic acid
SMILESC=CCC(CCCC)B(O)O
InChIInChI=1S/C8H17BO2/c1-3-5-7-8(6-4-2)9(10)11/h4,8,10-11H,2-3,5-7H2,1H3
InChIKeyHDRZOWNYYOKBKY-UHFFFAOYSA-N
MW156.03 g/mol
LogP1.60
Rot. Bonds6

About oct-1-en-4-ylboronic acid

oct-1-en-4-ylboronic acid (PubChem CID 87441158) has the molecular formula C8H17BO2 and a molecular weight of 156.03 g/mol. Its IUPAC name is oct-1-en-4-ylboronic acid.

Molecular Properties

Compound Nameoct-1-en-4-ylboronic acid
PubChem CID87441158
Molecular FormulaC8H17BO2
Molecular Weight156.03 g/mol
Exact Mass156.13
IUPAC Nameoct-1-en-4-ylboronic acid
SMILESC=CCC(CCCC)B(O)O
InChIInChI=1S/C8H17BO2/c1-3-5-7-8(6-4-2)9(10)11/h4,8,10-11H,2-3,5-7H2,1H3
InChIKeyHDRZOWNYYOKBKY-UHFFFAOYSA-N
XLogP1.60
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.03
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-ethyloct-1-ene
CID 129373406
oct-1-en-4-yloxymethanedithioic acid
CID 88696444
1-boronoheptan-2-ylboronic acid
CID 174998991
methane;(4R)-4-propan-2-yloct-1-ene
CID 159803024
5-prop-2-enyl-4-propyldec-1-ene
CID 173236567
4-oct-1-en-4-ylperoxyoct-1-ene
CID 87401104
oct-1-en-4-yl-tris(prop-2-enyl)phosphanium
CID 87404524
5-prop-2-enylnonan-2-ol
CID 91603961
(4R)-dodec-1-en-4-ol
CID 11074077
5-ethyl-4-methylnon-1-ene
CID 22027489
17-prop-2-enyltetratriacontane
CID 173452630
4-prop-2-enylpentadec-1-ene
CID 54427529

Frequently Asked Questions

What is the IUPAC name of oct-1-en-4-ylboronic acid?
The IUPAC name of oct-1-en-4-ylboronic acid (CID 87441158) is oct-1-en-4-ylboronic acid.
What is the SMILES notation for oct-1-en-4-ylboronic acid?
The canonical SMILES for oct-1-en-4-ylboronic acid is C=CCC(CCCC)B(O)O.
What is the InChIKey of oct-1-en-4-ylboronic acid?
The InChIKey is HDRZOWNYYOKBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BO2/c1-3-5-7-8(6-4-2)9(10)11/h4,8,10-11H,2-3,5-7H2,1H3.
What are the key properties of oct-1-en-4-ylboronic acid?
oct-1-en-4-ylboronic acid has a molecular weight of 156.03 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oct-1-en-4-ylboronic acid is sourced from PubChem (CID 87441158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).