hexadec-15-enoxy(imino)borane

C16H32BNO — CID 59503914

IUPAChexadec-15-enoxy(imino)borane
SMILES[H]/N=B/OCCCCCCCCCCCCCCC=C
InChIInChI=1S/C16H32BNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-18/h2,18H,1,3-16H2
InChIKeyFGDIGDQMAXBJCK-UHFFFAOYSA-N
MW265.25 g/mol
LogP5.64
Rot. Bonds16

About hexadec-15-enoxy(imino)borane

hexadec-15-enoxy(imino)borane (PubChem CID 59503914) has the molecular formula C16H32BNO and a molecular weight of 265.25 g/mol. Its IUPAC name is hexadec-15-enoxy(imino)borane.

Molecular Properties

Compound Namehexadec-15-enoxy(imino)borane
PubChem CID59503914
Molecular FormulaC16H32BNO
Molecular Weight265.25 g/mol
Exact Mass265.26
IUPAC Namehexadec-15-enoxy(imino)borane
SMILES[H]/N=B/OCCCCCCCCCCCCCCC=C
InChIInChI=1S/C16H32BNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-18/h2,18H,1,3-16H2
InChIKeyFGDIGDQMAXBJCK-UHFFFAOYSA-N
XLogP5.64
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.25
LogP ≤ 55.64
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of hexadec-15-enoxy(imino)borane?
The IUPAC name of hexadec-15-enoxy(imino)borane (CID 59503914) is hexadec-15-enoxy(imino)borane.
What is the SMILES notation for hexadec-15-enoxy(imino)borane?
The canonical SMILES for hexadec-15-enoxy(imino)borane is [H]/N=B/OCCCCCCCCCCCCCCC=C.
What is the InChIKey of hexadec-15-enoxy(imino)borane?
The InChIKey is FGDIGDQMAXBJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32BNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-18/h2,18H,1,3-16H2.
What are the key properties of hexadec-15-enoxy(imino)borane?
hexadec-15-enoxy(imino)borane has a molecular weight of 265.25 g/mol, XLogP of 5.64, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexadec-15-enoxy(imino)borane is sourced from PubChem (CID 59503914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).