ethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl acetate

C11H20O5 — CID 145432746

IUPACethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl acetate
SMILESCC.CC.CC(=O)OCc1oc(=O)oc1C
InChIInChI=1S/C7H8O5.2C2H6/c1-4-6(3-10-5(2)8)12-7(9)11-4;2*1-2/h3H2,1-2H3;2*1-2H3
InChIKeyNHIYDCBCIDTWBE-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.66
Rot. Bonds2

About ethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl acetate

ethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl acetate (PubChem CID 145432746) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is ethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl acetate.

Molecular Properties

Compound Nameethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl acetate
PubChem CID145432746
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Nameethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl acetate
SMILESCC.CC.CC(=O)OCc1oc(=O)oc1C
InChIInChI=1S/C7H8O5.2C2H6/c1-4-6(3-10-5(2)8)12-7(9)11-4;2*1-2/h3H2,1-2H3;2*1-2H3
InChIKeyNHIYDCBCIDTWBE-UHFFFAOYSA-N
XLogP2.66
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.66
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
Ethyl 2,2,5-trimethyl-1,3-dioxole-4-carboxylate
CID 13528602
Methyl 2,2-diethyl-5-methyl-1,3-dioxole-4-carboxylate
CID 13528608
2(5H)-Furanone, 4-[(2-methoxyethoxy)methoxy]-
CID 11206248
(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
(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl octa-4,6-diynoate
CID 20801187
(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate
CID 21061601
Olmesartan Medoxomil Impurity 164
CID 21138956
4-Methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxol-2-one
CID 21138960
4-(Methoxymethyl)-5-methyl-1,3-dioxol-2-one
CID 21362368

Frequently Asked Questions

What is the IUPAC name of ethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl acetate?
The IUPAC name of ethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl acetate (CID 145432746) is ethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl acetate.
What is the SMILES notation for ethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl acetate?
The canonical SMILES for ethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl acetate is CC.CC.CC(=O)OCc1oc(=O)oc1C.
What is the InChIKey of ethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl acetate?
The InChIKey is NHIYDCBCIDTWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O5.2C2H6/c1-4-6(3-10-5(2)8)12-7(9)11-4;2*1-2/h3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl acetate?
ethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl acetate has a molecular weight of 232.28 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl acetate is sourced from PubChem (CID 145432746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).