(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl propanoate

C16H20O10 — CID 162011570

IUPAC(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl propanoate
SMILESCCC(=O)OCc1oc(=O)oc1C.CCC(=O)OCc1oc(=O)oc1C
InChIInChI=1S/2C8H10O5/c2*1-3-7(9)11-4-6-5(2)12-8(10)13-6/h2*3-4H2,1-2H3
InChIKeyYTNYCEZPJHYTNF-UHFFFAOYSA-N
MW372.33 g/mol
LogP1.99
Rot. Bonds6

About (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl propanoate

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl propanoate (PubChem CID 162011570) has the molecular formula C16H20O10 and a molecular weight of 372.33 g/mol. Its IUPAC name is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl propanoate.

Molecular Properties

Compound Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl propanoate
PubChem CID162011570
Molecular FormulaC16H20O10
Molecular Weight372.33 g/mol
Exact Mass372.11
IUPAC Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl propanoate
SMILESCCC(=O)OCc1oc(=O)oc1C.CCC(=O)OCc1oc(=O)oc1C
InChIInChI=1S/2C8H10O5/c2*1-3-7(9)11-4-6-5(2)12-8(10)13-6/h2*3-4H2,1-2H3
InChIKeyYTNYCEZPJHYTNF-UHFFFAOYSA-N
XLogP1.99
TPSA139.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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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 butanoate
CID 15135437
(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate
CID 21061601
(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-methylpropanoate
CID 57887012
(5-Methyl-2-methylidene-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate
CID 58344402
(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl propanoate
CID 58506363
(5-Methyl-2-methylidene-1,3-dioxol-4-yl)methyl acetate
CID 59696766
Bis[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl] carbonate
CID 89922036
[5-(Methoxymethyl)-2-oxo-1,3-dioxol-4-yl]methyl acetate
CID 89980937
(5-Methyl-2-methylidene-1,3-dioxol-4-yl)methyl 2-methylpropanoate
CID 121486105
Ethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate
CID 142318644
5,5'-(Oxybis(methylene))bis(4-methyl-1,3-dioxol-2-one)
CID 142757881

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl propanoate?
The IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl propanoate (CID 162011570) is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl propanoate.
What is the SMILES notation for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl propanoate?
The canonical SMILES for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl propanoate is CCC(=O)OCc1oc(=O)oc1C.CCC(=O)OCc1oc(=O)oc1C.
What is the InChIKey of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl propanoate?
The InChIKey is YTNYCEZPJHYTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10O5/c2*1-3-7(9)11-4-6-5(2)12-8(10)13-6/h2*3-4H2,1-2H3.
What are the key properties of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl propanoate?
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl propanoate has a molecular weight of 372.33 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl propanoate is sourced from PubChem (CID 162011570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).