[(1E)-cycloocten-1-yl]oxy-diethylborane

C12H23BO — CID 5370120

IUPAC[(1E)-cycloocten-1-yl]oxy-diethylborane
SMILESCCB(CC)O/C1=C/CCCCCC1
InChIInChI=1S/C12H23BO/c1-3-13(4-2)14-12-10-8-6-5-7-9-11-12/h10H,3-9,11H2,1-2H3/b12-10+
InChIKeyJPZVRVBLRLTZHX-ZRDIBKRKSA-N
MW194.13 g/mol
LogP4.27
Rot. Bonds4

About [(1E)-cycloocten-1-yl]oxy-diethylborane

[(1E)-cycloocten-1-yl]oxy-diethylborane (PubChem CID 5370120) has the molecular formula C12H23BO and a molecular weight of 194.13 g/mol. Its IUPAC name is [(1E)-cycloocten-1-yl]oxy-diethylborane.

Molecular Properties

Compound Name[(1E)-cycloocten-1-yl]oxy-diethylborane
PubChem CID5370120
Molecular FormulaC12H23BO
Molecular Weight194.13 g/mol
Exact Mass194.18
IUPAC Name[(1E)-cycloocten-1-yl]oxy-diethylborane
SMILESCCB(CC)O/C1=C/CCCCCC1
InChIInChI=1S/C12H23BO/c1-3-13(4-2)14-12-10-8-6-5-7-9-11-12/h10H,3-9,11H2,1-2H3/b12-10+
InChIKeyJPZVRVBLRLTZHX-ZRDIBKRKSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.13
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1E)-cycloocten-1-yl]oxy-diethylborane?
The IUPAC name of [(1E)-cycloocten-1-yl]oxy-diethylborane (CID 5370120) is [(1E)-cycloocten-1-yl]oxy-diethylborane.
What is the SMILES notation for [(1E)-cycloocten-1-yl]oxy-diethylborane?
The canonical SMILES for [(1E)-cycloocten-1-yl]oxy-diethylborane is CCB(CC)O/C1=C/CCCCCC1.
What is the InChIKey of [(1E)-cycloocten-1-yl]oxy-diethylborane?
The InChIKey is JPZVRVBLRLTZHX-ZRDIBKRKSA-N. The full InChI is InChI=1S/C12H23BO/c1-3-13(4-2)14-12-10-8-6-5-7-9-11-12/h10H,3-9,11H2,1-2H3/b12-10+.
What are the key properties of [(1E)-cycloocten-1-yl]oxy-diethylborane?
[(1E)-cycloocten-1-yl]oxy-diethylborane has a molecular weight of 194.13 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-cycloocten-1-yl]oxy-diethylborane is sourced from PubChem (CID 5370120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).