1-pentanol ethyl boronate

C7H16BO2 — CID 170995148

IUPAC—
SMILESCCCCCO[B]OCC
InChIInChI=1S/C7H16BO2/c1-3-5-6-7-10-8-9-4-2/h3-7H2,1-2H3
InChIKeyFHIVPEMZQGEZBR-UHFFFAOYSA-N
MW143.02 g/mol
LogP1.76
Rot. Bonds7

About 1-pentanol ethyl boronate

1-pentanol ethyl boronate (PubChem CID 170995148) has the molecular formula C7H16BO2 and a molecular weight of 143.02 g/mol.

Molecular Properties

Compound Name1-pentanol ethyl boronate
PubChem CID170995148
Molecular FormulaC7H16BO2
Molecular Weight143.02 g/mol
Exact Mass143.12
IUPAC Name—
SMILESCCCCCO[B]OCC
InChIInChI=1S/C7H16BO2/c1-3-5-6-7-10-8-9-4-2/h3-7H2,1-2H3
InChIKeyFHIVPEMZQGEZBR-UHFFFAOYSA-N
XLogP1.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.02
LogP ≤ 51.76
H-Bond Donors ≤ 50
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 1-pentanol ethyl boronate?
The IUPAC name of 1-pentanol ethyl boronate (CID 170995148) is not available.
What is the SMILES notation for 1-pentanol ethyl boronate?
The canonical SMILES for 1-pentanol ethyl boronate is CCCCCO[B]OCC.
What is the InChIKey of 1-pentanol ethyl boronate?
The InChIKey is FHIVPEMZQGEZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16BO2/c1-3-5-6-7-10-8-9-4-2/h3-7H2,1-2H3.
What are the key properties of 1-pentanol ethyl boronate?
1-pentanol ethyl boronate has a molecular weight of 143.02 g/mol, XLogP of 1.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentanol ethyl boronate is sourced from PubChem (CID 170995148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).