[4-[2-(2-ethyl-1,3-dioxolan-2-yl)ethoxy]-3-methyl-2-pyridinyl]methyl acetate

C16H23NO5 — CID 70888026

IUPAC[4-[2-(2-ethyl-1,3-dioxolan-2-yl)ethoxy]-3-methyl-2-pyridinyl]methyl acetate
SMILESCCC1(CCOc2ccnc(COC(C)=O)c2C)OCCO1
InChIInChI=1S/C16H23NO5/c1-4-16(21-9-10-22-16)6-8-19-15-5-7-17-14(12(15)2)11-20-13(3)18/h5,7H,4,6,8-11H2,1-3H3
InChIKeyFXRWLWWDESOWEX-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.38
Rot. Bonds7

About [4-[2-(2-ethyl-1,3-dioxolan-2-yl)ethoxy]-3-methyl-2-pyridinyl]methyl acetate

[4-[2-(2-ethyl-1,3-dioxolan-2-yl)ethoxy]-3-methyl-2-pyridinyl]methyl acetate (PubChem CID 70888026) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is [4-[2-(2-ethyl-1,3-dioxolan-2-yl)ethoxy]-3-methyl-2-pyridinyl]methyl acetate.

Molecular Properties

Compound Name[4-[2-(2-ethyl-1,3-dioxolan-2-yl)ethoxy]-3-methyl-2-pyridinyl]methyl acetate
PubChem CID70888026
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name[4-[2-(2-ethyl-1,3-dioxolan-2-yl)ethoxy]-3-methyl-2-pyridinyl]methyl acetate
SMILESCCC1(CCOc2ccnc(COC(C)=O)c2C)OCCO1
InChIInChI=1S/C16H23NO5/c1-4-16(21-9-10-22-16)6-8-19-15-5-7-17-14(12(15)2)11-20-13(3)18/h5,7H,4,6,8-11H2,1-3H3
InChIKeyFXRWLWWDESOWEX-UHFFFAOYSA-N
XLogP2.38
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[2-(2-ethyl-1,3-dioxolan-2-yl)ethoxy]-3-methyl-2-pyridinyl]methyl acetate with MolForge

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Launch Full Analysis

Related Compounds

(4-methoxy-3-methyl-2-pyridinyl)methyl acetate
CID 10584009
[3-methyl-4-[2-(2-propyl-1,3-dioxan-2-yl)ethoxy]-2-pyridinyl]methanol
CID 59792362
S-[(4-methoxy-3-methyl-2-pyridinyl)methyl] ethanethioate
CID 22151433
4-[2-(8-ethyl-1,4,7,9-tetraoxaspiro[4.5]decan-8-yl)ethoxy]-2,3-dimethyl-1-oxidopyridin-1-ium
CID 59792506
2-(chloromethyl)-3-methyl-4-propoxypyridine;hydrochloride
CID 21296003
(3-phenyl-2-pyridinyl)methyl acetate
CID 10633060
[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methyl acetate
CID 162387085
2-(chloromethyl)-4-(3-chloropropoxy)-3-methylpyridine
CID 22460786
sodium;hydride;2-[[4-[2-[2-(methoxymethyl)-1,3-dioxan-2-yl]ethoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
CID 173017429
sodium 2-[[4-[(2-ethyl-1,3-dioxan-2-yl)methoxy]-3-methyl-2-pyridinyl]methylsulfinyl]benzimidazol-1-ide
CID 59792425
[4-chloro-3-(2-chloroethyl)-2-pyridinyl]methyl acetate
CID 138543489
4-methoxy-3-methyl-2-propylpyridine
CID 89037214

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-ethyl-1,3-dioxolan-2-yl)ethoxy]-3-methyl-2-pyridinyl]methyl acetate?
The IUPAC name of [4-[2-(2-ethyl-1,3-dioxolan-2-yl)ethoxy]-3-methyl-2-pyridinyl]methyl acetate (CID 70888026) is [4-[2-(2-ethyl-1,3-dioxolan-2-yl)ethoxy]-3-methyl-2-pyridinyl]methyl acetate.
What is the SMILES notation for [4-[2-(2-ethyl-1,3-dioxolan-2-yl)ethoxy]-3-methyl-2-pyridinyl]methyl acetate?
The canonical SMILES for [4-[2-(2-ethyl-1,3-dioxolan-2-yl)ethoxy]-3-methyl-2-pyridinyl]methyl acetate is CCC1(CCOc2ccnc(COC(C)=O)c2C)OCCO1.
What is the InChIKey of [4-[2-(2-ethyl-1,3-dioxolan-2-yl)ethoxy]-3-methyl-2-pyridinyl]methyl acetate?
The InChIKey is FXRWLWWDESOWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-4-16(21-9-10-22-16)6-8-19-15-5-7-17-14(12(15)2)11-20-13(3)18/h5,7H,4,6,8-11H2,1-3H3.
What are the key properties of [4-[2-(2-ethyl-1,3-dioxolan-2-yl)ethoxy]-3-methyl-2-pyridinyl]methyl acetate?
[4-[2-(2-ethyl-1,3-dioxolan-2-yl)ethoxy]-3-methyl-2-pyridinyl]methyl acetate has a molecular weight of 309.36 g/mol, XLogP of 2.38, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-ethyl-1,3-dioxolan-2-yl)ethoxy]-3-methyl-2-pyridinyl]methyl acetate is sourced from PubChem (CID 70888026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).