dipentoxyborinic acid

C10H23BO3 — CID 139632922

IUPACdipentoxyborinic acid
SMILESCCCCCOB(O)OCCCCC
InChIInChI=1S/C10H23BO3/c1-3-5-7-9-13-11(12)14-10-8-6-4-2/h12H,3-10H2,1-2H3
InChIKeyMQENWDIROMPTGJ-UHFFFAOYSA-N
MW202.10 g/mol
LogP2.38
Rot. Bonds10

About dipentoxyborinic acid

dipentoxyborinic acid (PubChem CID 139632922) has the molecular formula C10H23BO3 and a molecular weight of 202.10 g/mol. Its IUPAC name is dipentoxyborinic acid.

Molecular Properties

Compound Namedipentoxyborinic acid
PubChem CID139632922
Molecular FormulaC10H23BO3
Molecular Weight202.10 g/mol
Exact Mass202.17
IUPAC Namedipentoxyborinic acid
SMILESCCCCCOB(O)OCCCCC
InChIInChI=1S/C10H23BO3/c1-3-5-7-9-13-11(12)14-10-8-6-4-2/h12H,3-10H2,1-2H3
InChIKeyMQENWDIROMPTGJ-UHFFFAOYSA-N
XLogP2.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.10
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 dipentoxyborinic acid?
The IUPAC name of dipentoxyborinic acid (CID 139632922) is dipentoxyborinic acid.
What is the SMILES notation for dipentoxyborinic acid?
The canonical SMILES for dipentoxyborinic acid is CCCCCOB(O)OCCCCC.
What is the InChIKey of dipentoxyborinic acid?
The InChIKey is MQENWDIROMPTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23BO3/c1-3-5-7-9-13-11(12)14-10-8-6-4-2/h12H,3-10H2,1-2H3.
What are the key properties of dipentoxyborinic acid?
dipentoxyborinic acid has a molecular weight of 202.10 g/mol, XLogP of 2.38, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dipentoxyborinic acid is sourced from PubChem (CID 139632922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).