1,1-dimethoxy-2-methyl-3-pyridin-3-ylpropan-2-ol

C11H17NO3 — CID 104735758

IUPAC1,1-dimethoxy-2-methyl-3-pyridin-3-ylpropan-2-ol
SMILESCOC(OC)C(C)(O)Cc1cccnc1
InChIInChI=1S/C11H17NO3/c1-11(13,10(14-2)15-3)7-9-5-4-6-12-8-9/h4-6,8,10,13H,7H2,1-3H3
InChIKeyCCFVYMCVURDMDN-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.99
Rot. Bonds5

About 1,1-dimethoxy-2-methyl-3-pyridin-3-ylpropan-2-ol

1,1-dimethoxy-2-methyl-3-pyridin-3-ylpropan-2-ol (PubChem CID 104735758) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1,1-dimethoxy-2-methyl-3-pyridin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1,1-dimethoxy-2-methyl-3-pyridin-3-ylpropan-2-ol
PubChem CID104735758
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1,1-dimethoxy-2-methyl-3-pyridin-3-ylpropan-2-ol
SMILESCOC(OC)C(C)(O)Cc1cccnc1
InChIInChI=1S/C11H17NO3/c1-11(13,10(14-2)15-3)7-9-5-4-6-12-8-9/h4-6,8,10,13H,7H2,1-3H3
InChIKeyCCFVYMCVURDMDN-UHFFFAOYSA-N
XLogP0.99
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(2,2-dimethylpropyl)pyridine;methane
CID 160666805
3-(2,2-dimethoxyethyl)pyridine
CID 118705230
2-cyclopropyl-1-pyridin-3-ylpropan-2-ol
CID 104735640
1-amino-3,3-dimethyl-2-(pyridin-3-ylmethyl)butan-2-ol
CID 104735827
2-methyl-1-pyridin-3-ylpropan-2-amine;dihydrochloride
CID 131637820
3-methoxy-3-methyl-1-pyridin-3-ylbutan-2-ol
CID 104736155
1,1,2-tripyridin-3-ylethanol
CID 57425683
2-cyclohexyl-1-pyridin-3-ylpropan-2-ol
CID 114795036
2-(3-methylphenyl)-1-pyridin-3-ylpropan-2-ol
CID 104735632
platinum(2+);propan-2-amine;pyridin-3-ylmethanol;dichloride
CID 11964438
2,3-dimethyl-1-(pyridin-3-ylmethylamino)pentan-2-ol
CID 111118943
3,3-dimethyl-N-propan-2-yl-4-pyridin-3-ylbutan-1-amine
CID 104737370

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-2-methyl-3-pyridin-3-ylpropan-2-ol?
The IUPAC name of 1,1-dimethoxy-2-methyl-3-pyridin-3-ylpropan-2-ol (CID 104735758) is 1,1-dimethoxy-2-methyl-3-pyridin-3-ylpropan-2-ol.
What is the SMILES notation for 1,1-dimethoxy-2-methyl-3-pyridin-3-ylpropan-2-ol?
The canonical SMILES for 1,1-dimethoxy-2-methyl-3-pyridin-3-ylpropan-2-ol is COC(OC)C(C)(O)Cc1cccnc1.
What is the InChIKey of 1,1-dimethoxy-2-methyl-3-pyridin-3-ylpropan-2-ol?
The InChIKey is CCFVYMCVURDMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-11(13,10(14-2)15-3)7-9-5-4-6-12-8-9/h4-6,8,10,13H,7H2,1-3H3.
What are the key properties of 1,1-dimethoxy-2-methyl-3-pyridin-3-ylpropan-2-ol?
1,1-dimethoxy-2-methyl-3-pyridin-3-ylpropan-2-ol has a molecular weight of 211.26 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-2-methyl-3-pyridin-3-ylpropan-2-ol is sourced from PubChem (CID 104735758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).