(6-oxospiro[2.3]hexan-4-yl)boronic acid

C6H9BO3 — CID 166000500

IUPAC(6-oxospiro[2.3]hexan-4-yl)boronic acid
SMILESO=C1CC(B(O)O)C12CC2
InChIInChI=1S/C6H9BO3/c8-5-3-4(7(9)10)6(5)1-2-6/h4,9-10H,1-3H2
InChIKeyHNKJLGWPBSUWLK-UHFFFAOYSA-N
MW139.95 g/mol
LogP-0.42
Rot. Bonds1

About (6-oxospiro[2.3]hexan-4-yl)boronic acid

(6-oxospiro[2.3]hexan-4-yl)boronic acid (PubChem CID 166000500) has the molecular formula C6H9BO3 and a molecular weight of 139.95 g/mol. Its IUPAC name is (6-oxospiro[2.3]hexan-4-yl)boronic acid.

Molecular Properties

Compound Name(6-oxospiro[2.3]hexan-4-yl)boronic acid
PubChem CID166000500
Molecular FormulaC6H9BO3
Molecular Weight139.95 g/mol
Exact Mass140.06
IUPAC Name(6-oxospiro[2.3]hexan-4-yl)boronic acid
SMILESO=C1CC(B(O)O)C12CC2
InChIInChI=1S/C6H9BO3/c8-5-3-4(7(9)10)6(5)1-2-6/h4,9-10H,1-3H2
InChIKeyHNKJLGWPBSUWLK-UHFFFAOYSA-N
XLogP-0.42
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.95
LogP ≤ 5-0.42
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

7-hydroxy-1-methylspiro[3.5]nonan-3-one
CID 163701413
7,7-difluoro-3-oxospiro[3.5]nonane-1-carboxylic acid
CID 155973101
(1S,5S)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]-3-one
CID 13468510
(1R,5R)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]-3-one
CID 13468509
(1S,5S,6S)-tricyclo[4.2.2.01,5]decan-8-one
CID 99726601
(1R,5R,6R)-tricyclo[4.2.2.01,5]decan-8-one
CID 95858532
8-hydroxyspiro[4.5]decane-1,4-dione
CID 150683768
2-ethenyl-3-hydroxyspiro[3.5]nonan-9-one
CID 101268637
tricyclo[5.2.1.01,6]decan-9-one
CID 13093324
(3R,5S,6R,8S)-8-hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-10-one
CID 10036509
(1S,5R,6S,8R)-5-hydroxytricyclo[6.2.2.01,6]dodecan-10-one
CID 101488524
1-propan-2-yloxyspiro[3.5]nonan-3-one
CID 66367846

Frequently Asked Questions

What is the IUPAC name of (6-oxospiro[2.3]hexan-4-yl)boronic acid?
The IUPAC name of (6-oxospiro[2.3]hexan-4-yl)boronic acid (CID 166000500) is (6-oxospiro[2.3]hexan-4-yl)boronic acid.
What is the SMILES notation for (6-oxospiro[2.3]hexan-4-yl)boronic acid?
The canonical SMILES for (6-oxospiro[2.3]hexan-4-yl)boronic acid is O=C1CC(B(O)O)C12CC2.
What is the InChIKey of (6-oxospiro[2.3]hexan-4-yl)boronic acid?
The InChIKey is HNKJLGWPBSUWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BO3/c8-5-3-4(7(9)10)6(5)1-2-6/h4,9-10H,1-3H2.
What are the key properties of (6-oxospiro[2.3]hexan-4-yl)boronic acid?
(6-oxospiro[2.3]hexan-4-yl)boronic acid has a molecular weight of 139.95 g/mol, XLogP of -0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-oxospiro[2.3]hexan-4-yl)boronic acid is sourced from PubChem (CID 166000500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).