[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]boronic acid

C15H26BNO8 — CID 140869715

IUPAC[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]boronic acid
SMILESOCCOCCOCCOCCOCCOc1ccc(B(O)O)cn1
InChIInChI=1S/C15H26BNO8/c18-3-4-21-5-6-22-7-8-23-9-10-24-11-12-25-15-2-1-14(13-17-15)16(19)20/h1-2,13,18-20H,3-12H2
InChIKeyFBLHRWJJQOWTGW-UHFFFAOYSA-N
MW359.18 g/mol
LogP-1.80
Rot. Bonds16

About [6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]boronic acid

[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]boronic acid (PubChem CID 140869715) has the molecular formula C15H26BNO8 and a molecular weight of 359.18 g/mol. Its IUPAC name is [6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]boronic acid
PubChem CID140869715
Molecular FormulaC15H26BNO8
Molecular Weight359.18 g/mol
Exact Mass359.18
IUPAC Name[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]boronic acid
SMILESOCCOCCOCCOCCOCCOc1ccc(B(O)O)cn1
InChIInChI=1S/C15H26BNO8/c18-3-4-21-5-6-22-7-8-23-9-10-24-11-12-25-15-2-1-14(13-17-15)16(19)20/h1-2,13,18-20H,3-12H2
InChIKeyFBLHRWJJQOWTGW-UHFFFAOYSA-N
XLogP-1.80
TPSA119.73 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.18
LogP ≤ 5-1.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]boronic acid?
The IUPAC name of [6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]boronic acid (CID 140869715) is [6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]boronic acid.
What is the SMILES notation for [6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]boronic acid?
The canonical SMILES for [6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]boronic acid is OCCOCCOCCOCCOCCOc1ccc(B(O)O)cn1.
What is the InChIKey of [6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]boronic acid?
The InChIKey is FBLHRWJJQOWTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BNO8/c18-3-4-21-5-6-22-7-8-23-9-10-24-11-12-25-15-2-1-14(13-17-15)16(19)20/h1-2,13,18-20H,3-12H2.
What are the key properties of [6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]boronic acid?
[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]boronic acid has a molecular weight of 359.18 g/mol, XLogP of -1.80, 16 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]boronic acid is sourced from PubChem (CID 140869715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).