(5-oxooxolan-2-yl)oxymethyl 2-methylprop-2-enoate

C9H12O5 — CID 90971796

IUPAC(5-oxooxolan-2-yl)oxymethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCOC1CCC(=O)O1
InChIInChI=1S/C9H12O5/c1-6(2)9(11)13-5-12-8-4-3-7(10)14-8/h8H,1,3-5H2,2H3
InChIKeyMGKMECJMBIZTHZ-UHFFFAOYSA-N
MW200.19 g/mol
LogP0.74
Rot. Bonds4

About (5-oxooxolan-2-yl)oxymethyl 2-methylprop-2-enoate

(5-oxooxolan-2-yl)oxymethyl 2-methylprop-2-enoate (PubChem CID 90971796) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is (5-oxooxolan-2-yl)oxymethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(5-oxooxolan-2-yl)oxymethyl 2-methylprop-2-enoate
PubChem CID90971796
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Name(5-oxooxolan-2-yl)oxymethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCOC1CCC(=O)O1
InChIInChI=1S/C9H12O5/c1-6(2)9(11)13-5-12-8-4-3-7(10)14-8/h8H,1,3-5H2,2H3
InChIKeyMGKMECJMBIZTHZ-UHFFFAOYSA-N
XLogP0.74
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-oxooxolan-2-yl)oxymethyl 2-methylprop-2-enoate?
The IUPAC name of (5-oxooxolan-2-yl)oxymethyl 2-methylprop-2-enoate (CID 90971796) is (5-oxooxolan-2-yl)oxymethyl 2-methylprop-2-enoate.
What is the SMILES notation for (5-oxooxolan-2-yl)oxymethyl 2-methylprop-2-enoate?
The canonical SMILES for (5-oxooxolan-2-yl)oxymethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCOC1CCC(=O)O1.
What is the InChIKey of (5-oxooxolan-2-yl)oxymethyl 2-methylprop-2-enoate?
The InChIKey is MGKMECJMBIZTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O5/c1-6(2)9(11)13-5-12-8-4-3-7(10)14-8/h8H,1,3-5H2,2H3.
What are the key properties of (5-oxooxolan-2-yl)oxymethyl 2-methylprop-2-enoate?
(5-oxooxolan-2-yl)oxymethyl 2-methylprop-2-enoate has a molecular weight of 200.19 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxooxolan-2-yl)oxymethyl 2-methylprop-2-enoate is sourced from PubChem (CID 90971796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).