cyclodecyloxyboronic acid

C10H21BO3 — CID 57131416

IUPACcyclodecyloxyboronic acid
SMILESOB(O)OC1CCCCCCCCC1
InChIInChI=1S/C10H21BO3/c12-11(13)14-10-8-6-4-2-1-3-5-7-9-10/h10,12-13H,1-9H2
InChIKeyCADWJHIDIXJPIF-UHFFFAOYSA-N
MW200.09 g/mol
LogP1.87
Rot. Bonds2

About cyclodecyloxyboronic acid

cyclodecyloxyboronic acid (PubChem CID 57131416) has the molecular formula C10H21BO3 and a molecular weight of 200.09 g/mol. Its IUPAC name is cyclodecyloxyboronic acid.

Molecular Properties

Compound Namecyclodecyloxyboronic acid
PubChem CID57131416
Molecular FormulaC10H21BO3
Molecular Weight200.09 g/mol
Exact Mass200.16
IUPAC Namecyclodecyloxyboronic acid
SMILESOB(O)OC1CCCCCCCCC1
InChIInChI=1S/C10H21BO3/c12-11(13)14-10-8-6-4-2-1-3-5-7-9-10/h10,12-13H,1-9H2
InChIKeyCADWJHIDIXJPIF-UHFFFAOYSA-N
XLogP1.87
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.09
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

piperidin-3-yloxyboronic acid
CID 142674048
cycloheptyloxy(phenyl)borinic acid
CID 140751557
tert-butyl(dicyclohexyloxy)borane
CID 141214585
silyloxycyclohexane
CID 19892694
cyclohexane;hydroperoxycyclohexane
CID 88671084
1,4-bis[(4-cyclohexyloxycyclohexyl)oxy]cyclohexane
CID 140552812
cyclobutyloxycyclohexane
CID 89332762
dicyclononyl carbonate
CID 139618210
dicyclohexyl sulfite
CID 557841
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
8-cycloheptyloxyoctoxycycloheptane
CID 173292672
methoxycyclooctane
CID 551195

Frequently Asked Questions

What is the IUPAC name of cyclodecyloxyboronic acid?
The IUPAC name of cyclodecyloxyboronic acid (CID 57131416) is cyclodecyloxyboronic acid.
What is the SMILES notation for cyclodecyloxyboronic acid?
The canonical SMILES for cyclodecyloxyboronic acid is OB(O)OC1CCCCCCCCC1.
What is the InChIKey of cyclodecyloxyboronic acid?
The InChIKey is CADWJHIDIXJPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BO3/c12-11(13)14-10-8-6-4-2-1-3-5-7-9-10/h10,12-13H,1-9H2.
What are the key properties of cyclodecyloxyboronic acid?
cyclodecyloxyboronic acid has a molecular weight of 200.09 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclodecyloxyboronic acid is sourced from PubChem (CID 57131416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).