(2-oxo-1,3-dioxolan-4-yl) 2-methylpropanoate

C7H10O5 — CID 153224535

IUPAC(2-oxo-1,3-dioxolan-4-yl) 2-methylpropanoate
SMILESCC(C)C(=O)OC1COC(=O)O1
InChIInChI=1S/C7H10O5/c1-4(2)6(8)11-5-3-10-7(9)12-5/h4-5H,3H2,1-2H3
InChIKeyWOICZGGKJOYTPU-UHFFFAOYSA-N
MW174.15 g/mol
LogP0.68
Rot. Bonds2

About (2-oxo-1,3-dioxolan-4-yl) 2-methylpropanoate

(2-oxo-1,3-dioxolan-4-yl) 2-methylpropanoate (PubChem CID 153224535) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is (2-oxo-1,3-dioxolan-4-yl) 2-methylpropanoate.

Molecular Properties

Compound Name(2-oxo-1,3-dioxolan-4-yl) 2-methylpropanoate
PubChem CID153224535
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name(2-oxo-1,3-dioxolan-4-yl) 2-methylpropanoate
SMILESCC(C)C(=O)OC1COC(=O)O1
InChIInChI=1S/C7H10O5/c1-4(2)6(8)11-5-3-10-7(9)12-5/h4-5H,3H2,1-2H3
InChIKeyWOICZGGKJOYTPU-UHFFFAOYSA-N
XLogP0.68
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-oxo-1,3-dioxolan-4-yl) hydrogen carbonate
CID 67999025
(2-oxo-1,3-dioxolan-4-yl) 2-methylbut-2-enoate
CID 68583941
[2,3,4,5,6-pentakis(2-methylpropanoyloxy)cyclohexyl] 2-methylpropanoate
CID 4178515
(2-oxo-1,3-dioxolan-4-yl) hypofluorite
CID 118636639
(2-oxo-1,3-dioxolan-4-yl) 2-methylhept-2-enoate
CID 175124865
2-(2-hydroxyethoxy)ethanol;bis((2-oxo-1,3-dioxolan-4-yl) 2-methylprop-2-enoate)
CID 69164105
(4,5-dimethyl-2-oxo-1,3-dioxolan-4-yl) (2-oxo-1,3-dioxolan-4-yl) carbonate
CID 139792570
[4-(2-oxo-1,3-dioxolan-4-yl)oxetan-2-yl] acetate
CID 139844221
3-(2-oxo-1,3-dioxolane-4-carbonyl)oxybutan-2-yl 2-oxo-1,3-dioxolane-4-carboxylate
CID 134599718
4-prop-1-enoxy-1,3-dioxolan-2-one
CID 139776471
4-(1,1,2,2-tetrafluoroethoxy)-1,3-dioxolan-2-one
CID 172751189
cyclopropyl 2-methylpropanoate
CID 54511576

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,3-dioxolan-4-yl) 2-methylpropanoate?
The IUPAC name of (2-oxo-1,3-dioxolan-4-yl) 2-methylpropanoate (CID 153224535) is (2-oxo-1,3-dioxolan-4-yl) 2-methylpropanoate.
What is the SMILES notation for (2-oxo-1,3-dioxolan-4-yl) 2-methylpropanoate?
The canonical SMILES for (2-oxo-1,3-dioxolan-4-yl) 2-methylpropanoate is CC(C)C(=O)OC1COC(=O)O1.
What is the InChIKey of (2-oxo-1,3-dioxolan-4-yl) 2-methylpropanoate?
The InChIKey is WOICZGGKJOYTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O5/c1-4(2)6(8)11-5-3-10-7(9)12-5/h4-5H,3H2,1-2H3.
What are the key properties of (2-oxo-1,3-dioxolan-4-yl) 2-methylpropanoate?
(2-oxo-1,3-dioxolan-4-yl) 2-methylpropanoate has a molecular weight of 174.15 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,3-dioxolan-4-yl) 2-methylpropanoate is sourced from PubChem (CID 153224535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).