6-diphenylboranyloxyhexan-1-ol

C18H23BO2 — CID 3087576

IUPAC6-diphenylboranyloxyhexan-1-ol
SMILESOCCCCCCOB(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23BO2/c20-15-9-1-2-10-16-21-19(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-8,11-14,20H,1-2,9-10,15-16H2
InChIKeyXFVIMAWQIDPRAU-UHFFFAOYSA-N
MW282.19 g/mol
LogP2.36
Rot. Bonds9

About 6-diphenylboranyloxyhexan-1-ol

6-diphenylboranyloxyhexan-1-ol (PubChem CID 3087576) has the molecular formula C18H23BO2 and a molecular weight of 282.19 g/mol. Its IUPAC name is 6-diphenylboranyloxyhexan-1-ol.

Molecular Properties

Compound Name6-diphenylboranyloxyhexan-1-ol
PubChem CID3087576
Molecular FormulaC18H23BO2
Molecular Weight282.19 g/mol
Exact Mass282.18
IUPAC Name6-diphenylboranyloxyhexan-1-ol
SMILESOCCCCCCOB(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23BO2/c20-15-9-1-2-10-16-21-19(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-8,11-14,20H,1-2,9-10,15-16H2
InChIKeyXFVIMAWQIDPRAU-UHFFFAOYSA-N
XLogP2.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 52.36
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'}

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Frequently Asked Questions

What is the IUPAC name of 6-diphenylboranyloxyhexan-1-ol?
The IUPAC name of 6-diphenylboranyloxyhexan-1-ol (CID 3087576) is 6-diphenylboranyloxyhexan-1-ol.
What is the SMILES notation for 6-diphenylboranyloxyhexan-1-ol?
The canonical SMILES for 6-diphenylboranyloxyhexan-1-ol is OCCCCCCOB(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-diphenylboranyloxyhexan-1-ol?
The InChIKey is XFVIMAWQIDPRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BO2/c20-15-9-1-2-10-16-21-19(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-8,11-14,20H,1-2,9-10,15-16H2.
What are the key properties of 6-diphenylboranyloxyhexan-1-ol?
6-diphenylboranyloxyhexan-1-ol has a molecular weight of 282.19 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diphenylboranyloxyhexan-1-ol is sourced from PubChem (CID 3087576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).