(2-oxooxolan-3-yl) 2-(2-prop-2-enoyloxyethoxy)propanoate

C12H16O7 — CID 20643718

IUPAC(2-oxooxolan-3-yl) 2-(2-prop-2-enoyloxyethoxy)propanoate
SMILESC=CC(=O)OCCOC(C)C(=O)OC1CCOC1=O
InChIInChI=1S/C12H16O7/c1-3-10(13)17-7-6-16-8(2)11(14)19-9-4-5-18-12(9)15/h3,8-9H,1,4-7H2,2H3
InChIKeyKPDFABUVRSKEKM-UHFFFAOYSA-N
MW272.25 g/mol
LogP-0.02
Rot. Bonds7

About (2-oxooxolan-3-yl) 2-(2-prop-2-enoyloxyethoxy)propanoate

(2-oxooxolan-3-yl) 2-(2-prop-2-enoyloxyethoxy)propanoate (PubChem CID 20643718) has the molecular formula C12H16O7 and a molecular weight of 272.25 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 2-(2-prop-2-enoyloxyethoxy)propanoate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 2-(2-prop-2-enoyloxyethoxy)propanoate
PubChem CID20643718
Molecular FormulaC12H16O7
Molecular Weight272.25 g/mol
Exact Mass272.09
IUPAC Name(2-oxooxolan-3-yl) 2-(2-prop-2-enoyloxyethoxy)propanoate
SMILESC=CC(=O)OCCOC(C)C(=O)OC1CCOC1=O
InChIInChI=1S/C12H16O7/c1-3-10(13)17-7-6-16-8(2)11(14)19-9-4-5-18-12(9)15/h3,8-9H,1,4-7H2,2H3
InChIKeyKPDFABUVRSKEKM-UHFFFAOYSA-N
XLogP-0.02
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 2-(2-prop-2-enoyloxyethoxy)propanoate?
The IUPAC name of (2-oxooxolan-3-yl) 2-(2-prop-2-enoyloxyethoxy)propanoate (CID 20643718) is (2-oxooxolan-3-yl) 2-(2-prop-2-enoyloxyethoxy)propanoate.
What is the SMILES notation for (2-oxooxolan-3-yl) 2-(2-prop-2-enoyloxyethoxy)propanoate?
The canonical SMILES for (2-oxooxolan-3-yl) 2-(2-prop-2-enoyloxyethoxy)propanoate is C=CC(=O)OCCOC(C)C(=O)OC1CCOC1=O.
What is the InChIKey of (2-oxooxolan-3-yl) 2-(2-prop-2-enoyloxyethoxy)propanoate?
The InChIKey is KPDFABUVRSKEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O7/c1-3-10(13)17-7-6-16-8(2)11(14)19-9-4-5-18-12(9)15/h3,8-9H,1,4-7H2,2H3.
What are the key properties of (2-oxooxolan-3-yl) 2-(2-prop-2-enoyloxyethoxy)propanoate?
(2-oxooxolan-3-yl) 2-(2-prop-2-enoyloxyethoxy)propanoate has a molecular weight of 272.25 g/mol, XLogP of -0.02, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 2-(2-prop-2-enoyloxyethoxy)propanoate is sourced from PubChem (CID 20643718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).