(2-methoxy-5-methyl-1,3-dioxol-4-yl)methyl acetate

C8H12O5 — CID 154539678

IUPAC(2-methoxy-5-methyl-1,3-dioxol-4-yl)methyl acetate
SMILESCOC1OC(C)=C(COC(C)=O)O1
InChIInChI=1S/C8H12O5/c1-5-7(4-11-6(2)9)13-8(10-3)12-5/h8H,4H2,1-3H3
InChIKeyGZWMQFHQIUGMTJ-UHFFFAOYSA-N
MW188.18 g/mol
LogP0.76
Rot. Bonds3

About (2-methoxy-5-methyl-1,3-dioxol-4-yl)methyl acetate

(2-methoxy-5-methyl-1,3-dioxol-4-yl)methyl acetate (PubChem CID 154539678) has the molecular formula C8H12O5 and a molecular weight of 188.18 g/mol. Its IUPAC name is (2-methoxy-5-methyl-1,3-dioxol-4-yl)methyl acetate.

Molecular Properties

Compound Name(2-methoxy-5-methyl-1,3-dioxol-4-yl)methyl acetate
PubChem CID154539678
Molecular FormulaC8H12O5
Molecular Weight188.18 g/mol
Exact Mass188.07
IUPAC Name(2-methoxy-5-methyl-1,3-dioxol-4-yl)methyl acetate
SMILESCOC1OC(C)=C(COC(C)=O)O1
InChIInChI=1S/C8H12O5/c1-5-7(4-11-6(2)9)13-8(10-3)12-5/h8H,4H2,1-3H3
InChIKeyGZWMQFHQIUGMTJ-UHFFFAOYSA-N
XLogP0.76
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(Acetyloxy)methyl]-5-methyl-1,3-dioxol-2-one
CID 19611268
(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl formate
CID 10702077
(r,s)-4,5-Dimethoxy-5h-furan-2-one
CID 12615322
(3-methoxy-5-oxo-2H-furan-2-yl) acetate
CID 12886070
(r,s)-5-Butoxy-4-methoxy-5h-furan-2-one
CID 85535216
(r,s)-5-Allyloxy-4-methoxy-5h-furan-2-one
CID 85535218
Ethyl 2,2,5-trimethyl-1,3-dioxole-4-carboxylate
CID 13528602
2(5H)-Furanone, 4-[(2-methoxyethoxy)methoxy]-
CID 11206248
3-(methoxymethoxy)-2H-furan-5-one
CID 11084001
(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl butanoate
CID 15135437
[[5-(Bromomethyl)-2-oxo-1,3-dioxol-4-yl]-(2-methoxyethoxy)methyl] acetate
CID 19611271
(2,6-dimethyl-4H-1,3-dioxin-5-yl) acetate
CID 20517254

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methyl-1,3-dioxol-4-yl)methyl acetate?
The IUPAC name of (2-methoxy-5-methyl-1,3-dioxol-4-yl)methyl acetate (CID 154539678) is (2-methoxy-5-methyl-1,3-dioxol-4-yl)methyl acetate.
What is the SMILES notation for (2-methoxy-5-methyl-1,3-dioxol-4-yl)methyl acetate?
The canonical SMILES for (2-methoxy-5-methyl-1,3-dioxol-4-yl)methyl acetate is COC1OC(C)=C(COC(C)=O)O1.
What is the InChIKey of (2-methoxy-5-methyl-1,3-dioxol-4-yl)methyl acetate?
The InChIKey is GZWMQFHQIUGMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O5/c1-5-7(4-11-6(2)9)13-8(10-3)12-5/h8H,4H2,1-3H3.
What are the key properties of (2-methoxy-5-methyl-1,3-dioxol-4-yl)methyl acetate?
(2-methoxy-5-methyl-1,3-dioxol-4-yl)methyl acetate has a molecular weight of 188.18 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methyl-1,3-dioxol-4-yl)methyl acetate is sourced from PubChem (CID 154539678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).