[(E)-hept-1-enoxy]boronic acid

C7H15BO3 — CID 142780404

IUPAC[(E)-hept-1-enoxy]boronic acid
SMILESCCCCC/C=C/OB(O)O
InChIInChI=1S/C7H15BO3/c1-2-3-4-5-6-7-11-8(9)10/h6-7,9-10H,2-5H2,1H3/b7-6+
InChIKeyIXDOFLOQPYLTGZ-VOTSOKGWSA-N
MW158.01 g/mol
LogP1.07
Rot. Bonds6

About [(E)-hept-1-enoxy]boronic acid

[(E)-hept-1-enoxy]boronic acid (PubChem CID 142780404) has the molecular formula C7H15BO3 and a molecular weight of 158.01 g/mol. Its IUPAC name is [(E)-hept-1-enoxy]boronic acid.

Molecular Properties

Compound Name[(E)-hept-1-enoxy]boronic acid
PubChem CID142780404
Molecular FormulaC7H15BO3
Molecular Weight158.01 g/mol
Exact Mass158.11
IUPAC Name[(E)-hept-1-enoxy]boronic acid
SMILESCCCCC/C=C/OB(O)O
InChIInChI=1S/C7H15BO3/c1-2-3-4-5-6-7-11-8(9)10/h6-7,9-10H,2-5H2,1H3/b7-6+
InChIKeyIXDOFLOQPYLTGZ-VOTSOKGWSA-N
XLogP1.07
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.01
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-hydroperoxyundec-1-ene
CID 140553152
1-triacont-1-enoxytriacont-1-ene
CID 173373575
1-hexadec-1-enoxyhexadec-1-ene
CID 57140599
(E)-1-methoxyhept-1-ene
CID 11126280
hept-1-enylboronic acid
CID 2773442
(Z)-1-methoxydec-1-ene
CID 10888349
(E)-1-methoxyoct-1-ene
CID 10964624
(E)-1-methoxytridec-1-ene
CID 87204968
(1Z,7Z)-trideca-1,7-dien-1-ol
CID 175047617
(E)-pentacos-1-en-1-ol
CID 135335589
(Z)-pentadec-1-en-1-ol
CID 135331786
1-ethoxyundec-1-ene
CID 71331710

Frequently Asked Questions

What is the IUPAC name of [(E)-hept-1-enoxy]boronic acid?
The IUPAC name of [(E)-hept-1-enoxy]boronic acid (CID 142780404) is [(E)-hept-1-enoxy]boronic acid.
What is the SMILES notation for [(E)-hept-1-enoxy]boronic acid?
The canonical SMILES for [(E)-hept-1-enoxy]boronic acid is CCCCC/C=C/OB(O)O.
What is the InChIKey of [(E)-hept-1-enoxy]boronic acid?
The InChIKey is IXDOFLOQPYLTGZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H15BO3/c1-2-3-4-5-6-7-11-8(9)10/h6-7,9-10H,2-5H2,1H3/b7-6+.
What are the key properties of [(E)-hept-1-enoxy]boronic acid?
[(E)-hept-1-enoxy]boronic acid has a molecular weight of 158.01 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hept-1-enoxy]boronic acid is sourced from PubChem (CID 142780404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).