CID 59190375

C6H13B2O2 — CID 59190375

IUPAC—
SMILES[B]=BOC(C)(C)C(C)(C)O
InChIInChI=1S/C6H13B2O2/c1-5(2,9)6(3,4)10-8-7/h9H,1-4H3
InChIKeyJRWMUJALROYIFM-UHFFFAOYSA-N
MW138.79 g/mol
LogP0.26
Rot. Bonds3

About CID 59190375

CID 59190375 (PubChem CID 59190375) has the molecular formula C6H13B2O2 and a molecular weight of 138.79 g/mol.

Molecular Properties

Compound NameCID 59190375
PubChem CID59190375
Molecular FormulaC6H13B2O2
Molecular Weight138.79 g/mol
Exact Mass139.11
IUPAC Name—
SMILES[B]=BOC(C)(C)C(C)(C)O
InChIInChI=1S/C6H13B2O2/c1-5(2,9)6(3,4)10-8-7/h9H,1-4H3
InChIKeyJRWMUJALROYIFM-UHFFFAOYSA-N
XLogP0.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.79
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pinacol
CID 6425
Pinacol boronate
CID 21941286
Pinacol borate
CID 21966480
CID 22396599
CID 22396599
CID 123851826
CID 123851826
Boronopinacol
CID 141106835
(3-Hydroxy-2,3-dimethylbutan-2-yl)oxidanium
CID 138977079
Pinacol-D12
CID 12985040
CID 12180604
CID 12180604
CID 21923961
CID 21923961
CID 22139456
CID 22139456
(3-Hydroxy-2,3-dimethylbutan-2-yl)oxy-methylborinic acid
CID 45382225

Frequently Asked Questions

What is the IUPAC name of CID 59190375?
The IUPAC name of CID 59190375 (CID 59190375) is not available.
What is the SMILES notation for CID 59190375?
The canonical SMILES for CID 59190375 is [B]=BOC(C)(C)C(C)(C)O.
What is the InChIKey of CID 59190375?
The InChIKey is JRWMUJALROYIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13B2O2/c1-5(2,9)6(3,4)10-8-7/h9H,1-4H3.
What are the key properties of CID 59190375?
CID 59190375 has a molecular weight of 138.79 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59190375 is sourced from PubChem (CID 59190375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).