[(E,4R)-oct-2-en-4-yl]boronic acid

C8H17BO2 — CID 140799449

IUPAC[(E,4R)-oct-2-en-4-yl]boronic acid
SMILESC/C=C/[C@@H](CCCC)B(O)O
InChIInChI=1S/C8H17BO2/c1-3-5-7-8(6-4-2)9(10)11/h4,6,8,10-11H,3,5,7H2,1-2H3/b6-4+/t8-/m0/s1
InChIKeyZYDHIABCOLZNNT-JQTRYQTASA-N
MW156.03 g/mol
LogP1.60
Rot. Bonds5

About [(E,4R)-oct-2-en-4-yl]boronic acid

[(E,4R)-oct-2-en-4-yl]boronic acid (PubChem CID 140799449) has the molecular formula C8H17BO2 and a molecular weight of 156.03 g/mol. Its IUPAC name is [(E,4R)-oct-2-en-4-yl]boronic acid.

Molecular Properties

Compound Name[(E,4R)-oct-2-en-4-yl]boronic acid
PubChem CID140799449
Molecular FormulaC8H17BO2
Molecular Weight156.03 g/mol
Exact Mass156.13
IUPAC Name[(E,4R)-oct-2-en-4-yl]boronic acid
SMILESC/C=C/[C@@H](CCCC)B(O)O
InChIInChI=1S/C8H17BO2/c1-3-5-7-8(6-4-2)9(10)11/h4,6,8,10-11H,3,5,7H2,1-2H3/b6-4+/t8-/m0/s1
InChIKeyZYDHIABCOLZNNT-JQTRYQTASA-N
XLogP1.60
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

4-methyloct-2-ene
CID 528286
2-prop-1-enylhexan-1-ol
CID 57263629
tributyl-[(Z,4R)-oct-2-en-4-yl]stannane
CID 177449135
5-prop-1-enyltridecane
CID 57064303
(Z)-undec-2-en-4-ol
CID 14320443
6-[(E)-prop-1-enyl]undecane
CID 134941128
octa-2,6-diene;4-prop-1-enyloct-2-ene
CID 159592466
4,6-dimethyldec-2-ene
CID 123345769
heptan-1-ol;pent-3-en-2-ol
CID 161078039
oct-1-en-4-ylboronic acid
CID 87441158
propane;(E)-5-[(Z)-prop-1-enyl]non-2-ene
CID 143978428
tributyl-[(E)-1-tributylstannylbut-2-enyl]stannane
CID 10508278

Frequently Asked Questions

What is the IUPAC name of [(E,4R)-oct-2-en-4-yl]boronic acid?
The IUPAC name of [(E,4R)-oct-2-en-4-yl]boronic acid (CID 140799449) is [(E,4R)-oct-2-en-4-yl]boronic acid.
What is the SMILES notation for [(E,4R)-oct-2-en-4-yl]boronic acid?
The canonical SMILES for [(E,4R)-oct-2-en-4-yl]boronic acid is C/C=C/[C@@H](CCCC)B(O)O.
What is the InChIKey of [(E,4R)-oct-2-en-4-yl]boronic acid?
The InChIKey is ZYDHIABCOLZNNT-JQTRYQTASA-N. The full InChI is InChI=1S/C8H17BO2/c1-3-5-7-8(6-4-2)9(10)11/h4,6,8,10-11H,3,5,7H2,1-2H3/b6-4+/t8-/m0/s1.
What are the key properties of [(E,4R)-oct-2-en-4-yl]boronic acid?
[(E,4R)-oct-2-en-4-yl]boronic acid has a molecular weight of 156.03 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,4R)-oct-2-en-4-yl]boronic acid is sourced from PubChem (CID 140799449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).