3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol

C17H27NO3 — CID 79913158

IUPAC3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol
SMILESCOc1c(C)cnc(CC2(O)CC(C)(C)OC2(C)C)c1C
InChIInChI=1S/C17H27NO3/c1-11-9-18-13(12(2)14(11)20-7)8-17(19)10-15(3,4)21-16(17,5)6/h9,19H,8,10H2,1-7H3
InChIKeyXKISQJTWOPLUNF-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.96
Rot. Bonds3

About 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol

3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol (PubChem CID 79913158) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol.

Molecular Properties

Compound Name3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol
PubChem CID79913158
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol
SMILESCOc1c(C)cnc(CC2(O)CC(C)(C)OC2(C)C)c1C
InChIInChI=1S/C17H27NO3/c1-11-9-18-13(12(2)14(11)20-7)8-17(19)10-15(3,4)21-16(17,5)6/h9,19H,8,10H2,1-7H3
InChIKeyXKISQJTWOPLUNF-UHFFFAOYSA-N
XLogP2.96
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol with MolForge

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Related Compounds

3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4,4-dimethylthian-3-ol
CID 79955729
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-ol
CID 65142759
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxylic acid
CID 66024192
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-propan-2-ylcyclobutan-1-ol
CID 103564266
1-[1-hydroxy-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethyl]cyclopentan-1-ol
CID 103448486
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,1-dioxothiolan-3-ol
CID 65145771
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82855728
4-methoxy-3,5-dimethyl-2-[2-(oxiran-2-yl)ethyl]pyridine
CID 115410537
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,3-dimethylcyclopentan-1-amine
CID 116539196
[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol
CID 66058388
1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62906948
1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentyl]-N-methylmethanamine
CID 62724590

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The IUPAC name of 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol (CID 79913158) is 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol.
What is the SMILES notation for 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The canonical SMILES for 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol is COc1c(C)cnc(CC2(O)CC(C)(C)OC2(C)C)c1C.
What is the InChIKey of 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The InChIKey is XKISQJTWOPLUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-11-9-18-13(12(2)14(11)20-7)8-17(19)10-15(3,4)21-16(17,5)6/h9,19H,8,10H2,1-7H3.
What are the key properties of 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol?
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol has a molecular weight of 293.41 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol is sourced from PubChem (CID 79913158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).