2-boronodecanoic acid

C10H21BO4 — CID 151032724

IUPAC2-boronodecanoic acid
SMILESCCCCCCCCC(B(O)O)C(=O)O
InChIInChI=1S/C10H21BO4/c1-2-3-4-5-6-7-8-9(10(12)13)11(14)15/h9,14-15H,2-8H2,1H3,(H,12,13)
InChIKeyMAKDUANCKGUJCP-UHFFFAOYSA-N
MW216.09 g/mol
LogP1.66
Rot. Bonds9

About 2-boronodecanoic acid

2-boronodecanoic acid (PubChem CID 151032724) has the molecular formula C10H21BO4 and a molecular weight of 216.09 g/mol. Its IUPAC name is 2-boronodecanoic acid.

Molecular Properties

Compound Name2-boronodecanoic acid
PubChem CID151032724
Molecular FormulaC10H21BO4
Molecular Weight216.09 g/mol
Exact Mass216.15
IUPAC Name2-boronodecanoic acid
SMILESCCCCCCCCC(B(O)O)C(=O)O
InChIInChI=1S/C10H21BO4/c1-2-3-4-5-6-7-8-9(10(12)13)11(14)15/h9,14-15H,2-8H2,1H3,(H,12,13)
InChIKeyMAKDUANCKGUJCP-UHFFFAOYSA-N
XLogP1.66
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.09
LogP ≤ 51.66
H-Bond Donors ≤ 53
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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Related Compounds

2-nonacosylpropanedioic acid
CID 19851286
2-octylpropanedioic acid
CID 12972
2-icosylpropanedioic acid
CID 11582738
2,3-di(icosyl)butanedioic acid
CID 140519407
2-heptadecylicosanoic acid
CID 57459073
2-nonyldodecanoic acid
CID 57283654
2-hexadecyl-3-octadecylbutanedioic acid
CID 21183607
2-pentyldodecanoic acid
CID 18521426
2-undecylhexadecanoic acid
CID 139670823
2-hexylpentacosanoic acid
CID 158257677
2-nonylpentadecanoic acid
CID 139605044
2-hexylnonanoic acid
CID 18521424

Frequently Asked Questions

What is the IUPAC name of 2-boronodecanoic acid?
The IUPAC name of 2-boronodecanoic acid (CID 151032724) is 2-boronodecanoic acid.
What is the SMILES notation for 2-boronodecanoic acid?
The canonical SMILES for 2-boronodecanoic acid is CCCCCCCCC(B(O)O)C(=O)O.
What is the InChIKey of 2-boronodecanoic acid?
The InChIKey is MAKDUANCKGUJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BO4/c1-2-3-4-5-6-7-8-9(10(12)13)11(14)15/h9,14-15H,2-8H2,1H3,(H,12,13).
What are the key properties of 2-boronodecanoic acid?
2-boronodecanoic acid has a molecular weight of 216.09 g/mol, XLogP of 1.66, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-boronodecanoic acid is sourced from PubChem (CID 151032724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).