oct-7-enylboronic acid

C8H17BO2 — CID 53216275

IUPACoct-7-enylboronic acid
SMILESC=CCCCCCCB(O)O
InChIInChI=1S/C8H17BO2/c1-2-3-4-5-6-7-8-9(10)11/h2,10-11H,1,3-8H2
InChIKeyNWZXPKHHIAAANV-UHFFFAOYSA-N
MW156.03 g/mol
LogP1.60
Rot. Bonds7

About oct-7-enylboronic acid

oct-7-enylboronic acid (PubChem CID 53216275) has the molecular formula C8H17BO2 and a molecular weight of 156.03 g/mol. Its IUPAC name is oct-7-enylboronic acid.

Molecular Properties

Compound Nameoct-7-enylboronic acid
PubChem CID53216275
Molecular FormulaC8H17BO2
Molecular Weight156.03 g/mol
Exact Mass156.13
IUPAC Nameoct-7-enylboronic acid
SMILESC=CCCCCCCB(O)O
InChIInChI=1S/C8H17BO2/c1-2-3-4-5-6-7-8-9(10)11/h2,10-11H,1,3-8H2
InChIKeyNWZXPKHHIAAANV-UHFFFAOYSA-N
XLogP1.60
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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octadeca-9,17-dien-1-ol
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icosa-1,9,19-triene
CID 57001912
heptahexaconta-1,23,66-triene
CID 57275880
1-chlorohept-6-enylboronic acid
CID 87720455
methoxymethane;tridec-12-en-1-ol
CID 87674016
N-dec-9-enylidenehydroxylamine
CID 175541628
9-methylideneicosa-1,19-diene
CID 173334659
dodeca-1,4,11-trien-1-ol
CID 175296129
tricosa-1,22-dien-12-one
CID 86210796

Frequently Asked Questions

What is the IUPAC name of oct-7-enylboronic acid?
The IUPAC name of oct-7-enylboronic acid (CID 53216275) is oct-7-enylboronic acid.
What is the SMILES notation for oct-7-enylboronic acid?
The canonical SMILES for oct-7-enylboronic acid is C=CCCCCCCB(O)O.
What is the InChIKey of oct-7-enylboronic acid?
The InChIKey is NWZXPKHHIAAANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BO2/c1-2-3-4-5-6-7-8-9(10)11/h2,10-11H,1,3-8H2.
What are the key properties of oct-7-enylboronic acid?
oct-7-enylboronic acid has a molecular weight of 156.03 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oct-7-enylboronic acid is sourced from PubChem (CID 53216275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).