(6,6-dimethyl-2,3-dihydropyran-4-yl)boronic acid

C7H13BO3 — CID 154704283

IUPAC(6,6-dimethyl-2,3-dihydropyran-4-yl)boronic acid
SMILESCC1(C)C=C(B(O)O)CCO1
InChIInChI=1S/C7H13BO3/c1-7(2)5-6(8(9)10)3-4-11-7/h5,9-10H,3-4H2,1-2H3
InChIKeyISBZNSWAOVQBRP-UHFFFAOYSA-N
MW155.99 g/mol
LogP0.12
Rot. Bonds1

About (6,6-dimethyl-2,3-dihydropyran-4-yl)boronic acid

(6,6-dimethyl-2,3-dihydropyran-4-yl)boronic acid (PubChem CID 154704283) has the molecular formula C7H13BO3 and a molecular weight of 155.99 g/mol. Its IUPAC name is (6,6-dimethyl-2,3-dihydropyran-4-yl)boronic acid.

Molecular Properties

Compound Name(6,6-dimethyl-2,3-dihydropyran-4-yl)boronic acid
PubChem CID154704283
Molecular FormulaC7H13BO3
Molecular Weight155.99 g/mol
Exact Mass156.10
IUPAC Name(6,6-dimethyl-2,3-dihydropyran-4-yl)boronic acid
SMILESCC1(C)C=C(B(O)O)CCO1
InChIInChI=1S/C7H13BO3/c1-7(2)5-6(8(9)10)3-4-11-7/h5,9-10H,3-4H2,1-2H3
InChIKeyISBZNSWAOVQBRP-UHFFFAOYSA-N
XLogP0.12
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.99
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6,6-dimethyl-2,3-dihydropyran-4-yl)boronic acid?
The IUPAC name of (6,6-dimethyl-2,3-dihydropyran-4-yl)boronic acid (CID 154704283) is (6,6-dimethyl-2,3-dihydropyran-4-yl)boronic acid.
What is the SMILES notation for (6,6-dimethyl-2,3-dihydropyran-4-yl)boronic acid?
The canonical SMILES for (6,6-dimethyl-2,3-dihydropyran-4-yl)boronic acid is CC1(C)C=C(B(O)O)CCO1.
What is the InChIKey of (6,6-dimethyl-2,3-dihydropyran-4-yl)boronic acid?
The InChIKey is ISBZNSWAOVQBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BO3/c1-7(2)5-6(8(9)10)3-4-11-7/h5,9-10H,3-4H2,1-2H3.
What are the key properties of (6,6-dimethyl-2,3-dihydropyran-4-yl)boronic acid?
(6,6-dimethyl-2,3-dihydropyran-4-yl)boronic acid has a molecular weight of 155.99 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6-dimethyl-2,3-dihydropyran-4-yl)boronic acid is sourced from PubChem (CID 154704283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).