5,5-dimethyl-3-pyridin-2-yldioxolan-3-ol

C10H13NO3 — CID 15734054

IUPAC5,5-dimethyl-3-pyridin-2-yldioxolan-3-ol
SMILESCC1(C)CC(O)(c2ccccn2)OO1
InChIInChI=1S/C10H13NO3/c1-9(2)7-10(12,14-13-9)8-5-3-4-6-11-8/h3-6,12H,7H2,1-2H3
InChIKeyYHMJCVMHQKHWMY-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.36
Rot. Bonds1

About 5,5-dimethyl-3-pyridin-2-yldioxolan-3-ol

5,5-dimethyl-3-pyridin-2-yldioxolan-3-ol (PubChem CID 15734054) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5,5-dimethyl-3-pyridin-2-yldioxolan-3-ol.

Molecular Properties

Compound Name5,5-dimethyl-3-pyridin-2-yldioxolan-3-ol
PubChem CID15734054
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name5,5-dimethyl-3-pyridin-2-yldioxolan-3-ol
SMILESCC1(C)CC(O)(c2ccccn2)OO1
InChIInChI=1S/C10H13NO3/c1-9(2)7-10(12,14-13-9)8-5-3-4-6-11-8/h3-6,12H,7H2,1-2H3
InChIKeyYHMJCVMHQKHWMY-UHFFFAOYSA-N
XLogP1.36
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-pyridin-2-yldioxolan-3-ol?
The IUPAC name of 5,5-dimethyl-3-pyridin-2-yldioxolan-3-ol (CID 15734054) is 5,5-dimethyl-3-pyridin-2-yldioxolan-3-ol.
What is the SMILES notation for 5,5-dimethyl-3-pyridin-2-yldioxolan-3-ol?
The canonical SMILES for 5,5-dimethyl-3-pyridin-2-yldioxolan-3-ol is CC1(C)CC(O)(c2ccccn2)OO1.
What is the InChIKey of 5,5-dimethyl-3-pyridin-2-yldioxolan-3-ol?
The InChIKey is YHMJCVMHQKHWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-9(2)7-10(12,14-13-9)8-5-3-4-6-11-8/h3-6,12H,7H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-pyridin-2-yldioxolan-3-ol?
5,5-dimethyl-3-pyridin-2-yldioxolan-3-ol has a molecular weight of 195.22 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-pyridin-2-yldioxolan-3-ol is sourced from PubChem (CID 15734054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).