methyl 2-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]acetate

C11H18O5 — CID 117168465

IUPACmethyl 2-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]acetate
SMILESCOC(=O)CC1COC(C2CCOCC2)O1
InChIInChI=1S/C11H18O5/c1-13-10(12)6-9-7-15-11(16-9)8-2-4-14-5-3-8/h8-9,11H,2-7H2,1H3
InChIKeyDUPNHJUIYYBXGG-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.72
Rot. Bonds3

About methyl 2-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]acetate

methyl 2-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]acetate (PubChem CID 117168465) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl 2-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]acetate
PubChem CID117168465
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Namemethyl 2-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]acetate
SMILESCOC(=O)CC1COC(C2CCOCC2)O1
InChIInChI=1S/C11H18O5/c1-13-10(12)6-9-7-15-11(16-9)8-2-4-14-5-3-8/h8-9,11H,2-7H2,1H3
InChIKeyDUPNHJUIYYBXGG-UHFFFAOYSA-N
XLogP0.72
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-Methyl-1,3-dioxolan-2-yl)oxolan-2-one
CID 281854
5-(1,3-Dioxolan-2-ylmethyl)-2,2-dimethyl-1,3-di-oxane-4,6-dione
CID 129765996
Methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoate
CID 13844195
Methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)butanoate
CID 54541998
methyl (2S)-2-[(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]butanoate
CID 57003809
Methyl 2-methoxy-5-methyloxolane-3-carboxylate
CID 58282806
(2-Acetyloxy-4,5-dimethyloxolan-3-yl) acetate
CID 58434487
[(4R,5R)-2-acetyloxy-4,5-dimethyloxolan-3-yl] acetate
CID 58492618
3-(Oxan-2-yloxymethyl)oxolan-2-one
CID 67296792
Methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxybutanoate
CID 67707533
[(2S,3S,5R)-2-acetyloxy-4,5-dimethyloxolan-3-yl] acetate
CID 68009546
[(3S,5R)-2-acetyloxy-4,5-dimethyloxolan-3-yl] acetate
CID 68009547

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]acetate?
The IUPAC name of methyl 2-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]acetate (CID 117168465) is methyl 2-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]acetate is COC(=O)CC1COC(C2CCOCC2)O1.
What is the InChIKey of methyl 2-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]acetate?
The InChIKey is DUPNHJUIYYBXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-13-10(12)6-9-7-15-11(16-9)8-2-4-14-5-3-8/h8-9,11H,2-7H2,1H3.
What are the key properties of methyl 2-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]acetate?
methyl 2-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]acetate has a molecular weight of 230.26 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]acetate is sourced from PubChem (CID 117168465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).