(2-oxo-1,3-dioxolan-4-yl)methoxycarbonyl propanoate

C8H10O7 — CID 150514849

IUPAC(2-oxo-1,3-dioxolan-4-yl)methoxycarbonyl propanoate
SMILESCCC(=O)OC(=O)OCC1COC(=O)O1
InChIInChI=1S/C8H10O7/c1-2-6(9)15-8(11)13-4-5-3-12-7(10)14-5/h5H,2-4H2,1H3
InChIKeyIAPJWEQMGFQDRK-UHFFFAOYSA-N
MW218.16 g/mol
LogP0.61
Rot. Bonds3

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

(2-oxo-1,3-dioxolan-4-yl)methoxycarbonyl propanoate (PubChem CID 150514849) has the molecular formula C8H10O7 and a molecular weight of 218.16 g/mol. Its IUPAC name is (2-oxo-1,3-dioxolan-4-yl)methoxycarbonyl propanoate.

Molecular Properties

Compound Name(2-oxo-1,3-dioxolan-4-yl)methoxycarbonyl propanoate
PubChem CID150514849
Molecular FormulaC8H10O7
Molecular Weight218.16 g/mol
Exact Mass218.04
IUPAC Name(2-oxo-1,3-dioxolan-4-yl)methoxycarbonyl propanoate
SMILESCCC(=O)OC(=O)OCC1COC(=O)O1
InChIInChI=1S/C8H10O7/c1-2-6(9)15-8(11)13-4-5-3-12-7(10)14-5/h5H,2-4H2,1H3
InChIKeyIAPJWEQMGFQDRK-UHFFFAOYSA-N
XLogP0.61
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

bis[(2-oxo-1,3-dioxolan-4-yl)methyl] pentanedioate
CID 59449201
(2-oxo-1,3-dioxolan-4-yl)methyl 3-oxobutanoate
CID 157036865
(2-oxo-1,3-dioxolan-4-yl)methyl 2-methoxyacetate
CID 14765868
[(4S)-2-oxo-1,3-dioxolan-4-yl]methyl dodecanoate
CID 10334978
ethane;(2-oxo-1,3-dioxolan-4-yl)methyl N-methylcarbamate
CID 145367345
2-[(2-oxo-1,3-dioxolan-4-yl)methoxycarbonyloxy]ethyl 2-methylprop-2-enoate
CID 22381518
(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-difluoroacetate
CID 87396873
1-O-[(2-methylidene-1,3-dioxolan-4-yl)methyl] 3-O-[(2-oxo-1,3-dioxolan-4-yl)methyl] propanedioate
CID 158834493
(2-oxo-1,3-dioxolan-4-yl)methyl 3-(butylamino)propanoate
CID 102112461
dimethyl carbonate;4-ethyl-1,3-dioxolan-2-one
CID 174821421
[2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl] 2,2-dimethylpentanoate
CID 159032301
2-ethoxyethyl 2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]acetate
CID 59844671

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,3-dioxolan-4-yl)methoxycarbonyl propanoate?
The IUPAC name of (2-oxo-1,3-dioxolan-4-yl)methoxycarbonyl propanoate (CID 150514849) is (2-oxo-1,3-dioxolan-4-yl)methoxycarbonyl propanoate.
What is the SMILES notation for (2-oxo-1,3-dioxolan-4-yl)methoxycarbonyl propanoate?
The canonical SMILES for (2-oxo-1,3-dioxolan-4-yl)methoxycarbonyl propanoate is CCC(=O)OC(=O)OCC1COC(=O)O1.
What is the InChIKey of (2-oxo-1,3-dioxolan-4-yl)methoxycarbonyl propanoate?
The InChIKey is IAPJWEQMGFQDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O7/c1-2-6(9)15-8(11)13-4-5-3-12-7(10)14-5/h5H,2-4H2,1H3.
What are the key properties of (2-oxo-1,3-dioxolan-4-yl)methoxycarbonyl propanoate?
(2-oxo-1,3-dioxolan-4-yl)methoxycarbonyl propanoate has a molecular weight of 218.16 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,3-dioxolan-4-yl)methoxycarbonyl propanoate is sourced from PubChem (CID 150514849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).