(3-hydroxyspiro[3.5]nonan-1-yl)boronic acid

C9H17BO3 — CID 167742390

IUPAC(3-hydroxyspiro[3.5]nonan-1-yl)boronic acid
SMILESOB(O)C1CC(O)C12CCCCC2
InChIInChI=1S/C9H17BO3/c11-8-6-7(10(12)13)9(8)4-2-1-3-5-9/h7-8,11-13H,1-6H2
InChIKeyKTVGIEBEHPLKBJ-UHFFFAOYSA-N
MW184.04 g/mol
LogP0.54
Rot. Bonds1

About (3-hydroxyspiro[3.5]nonan-1-yl)boronic acid

(3-hydroxyspiro[3.5]nonan-1-yl)boronic acid (PubChem CID 167742390) has the molecular formula C9H17BO3 and a molecular weight of 184.04 g/mol. Its IUPAC name is (3-hydroxyspiro[3.5]nonan-1-yl)boronic acid.

Molecular Properties

Compound Name(3-hydroxyspiro[3.5]nonan-1-yl)boronic acid
PubChem CID167742390
Molecular FormulaC9H17BO3
Molecular Weight184.04 g/mol
Exact Mass184.13
IUPAC Name(3-hydroxyspiro[3.5]nonan-1-yl)boronic acid
SMILESOB(O)C1CC(O)C12CCCCC2
InChIInChI=1S/C9H17BO3/c11-8-6-7(10(12)13)9(8)4-2-1-3-5-9/h7-8,11-13H,1-6H2
InChIKeyKTVGIEBEHPLKBJ-UHFFFAOYSA-N
XLogP0.54
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.04
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Spiro(3.5)nonan-2-ol
CID 80361357
Spiro[3.5]nonan-1-OL
CID 71744115
3-Ethoxyspiro[3.5]nonan-1-ol
CID 54595222
Trifluoro-(3-hydroxyspiro[3.5]nonan-1-yl)boranuide
CID 167716797
Spiro[3.5]nonane-3,8-diol
CID 13404853
Spiro[3.5]nonane-2,8-diol
CID 13404855
Spiro[3.5]nonane-2,7-diol
CID 13404857
Dispiro[5.1.58.16]tetradecane-7,14-diol
CID 21492522
1-[1-(Hydroxymethyl)cyclohexyl]hexane-1,6-diol
CID 70040303
Spiro[3.5]nonan-7-OL
CID 71744116
CID 89004721
CID 89004721
2-Butoxyspiro[3.5]nonan-7-ol
CID 118288552

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyspiro[3.5]nonan-1-yl)boronic acid?
The IUPAC name of (3-hydroxyspiro[3.5]nonan-1-yl)boronic acid (CID 167742390) is (3-hydroxyspiro[3.5]nonan-1-yl)boronic acid.
What is the SMILES notation for (3-hydroxyspiro[3.5]nonan-1-yl)boronic acid?
The canonical SMILES for (3-hydroxyspiro[3.5]nonan-1-yl)boronic acid is OB(O)C1CC(O)C12CCCCC2.
What is the InChIKey of (3-hydroxyspiro[3.5]nonan-1-yl)boronic acid?
The InChIKey is KTVGIEBEHPLKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BO3/c11-8-6-7(10(12)13)9(8)4-2-1-3-5-9/h7-8,11-13H,1-6H2.
What are the key properties of (3-hydroxyspiro[3.5]nonan-1-yl)boronic acid?
(3-hydroxyspiro[3.5]nonan-1-yl)boronic acid has a molecular weight of 184.04 g/mol, XLogP of 0.54, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyspiro[3.5]nonan-1-yl)boronic acid is sourced from PubChem (CID 167742390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).