(2-methyl-5-oxooxolan-2-yl) prop-2-enoate

C8H10O4 — CID 67204162

IUPAC(2-methyl-5-oxooxolan-2-yl) prop-2-enoate
SMILESC=CC(=O)OC1(C)CCC(=O)O1
InChIInChI=1S/C8H10O4/c1-3-6(9)11-8(2)5-4-7(10)12-8/h3H,1,4-5H2,2H3
InChIKeyVHYFRYWRNWCXGP-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.77
Rot. Bonds2

About (2-methyl-5-oxooxolan-2-yl) prop-2-enoate

(2-methyl-5-oxooxolan-2-yl) prop-2-enoate (PubChem CID 67204162) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is (2-methyl-5-oxooxolan-2-yl) prop-2-enoate.

Molecular Properties

Compound Name(2-methyl-5-oxooxolan-2-yl) prop-2-enoate
PubChem CID67204162
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name(2-methyl-5-oxooxolan-2-yl) prop-2-enoate
SMILESC=CC(=O)OC1(C)CCC(=O)O1
InChIInChI=1S/C8H10O4/c1-3-6(9)11-8(2)5-4-7(10)12-8/h3H,1,4-5H2,2H3
InChIKeyVHYFRYWRNWCXGP-UHFFFAOYSA-N
XLogP0.77
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-oxooxolan-2-yl) prop-2-enoate?
The IUPAC name of (2-methyl-5-oxooxolan-2-yl) prop-2-enoate (CID 67204162) is (2-methyl-5-oxooxolan-2-yl) prop-2-enoate.
What is the SMILES notation for (2-methyl-5-oxooxolan-2-yl) prop-2-enoate?
The canonical SMILES for (2-methyl-5-oxooxolan-2-yl) prop-2-enoate is C=CC(=O)OC1(C)CCC(=O)O1.
What is the InChIKey of (2-methyl-5-oxooxolan-2-yl) prop-2-enoate?
The InChIKey is VHYFRYWRNWCXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-3-6(9)11-8(2)5-4-7(10)12-8/h3H,1,4-5H2,2H3.
What are the key properties of (2-methyl-5-oxooxolan-2-yl) prop-2-enoate?
(2-methyl-5-oxooxolan-2-yl) prop-2-enoate has a molecular weight of 170.16 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-oxooxolan-2-yl) prop-2-enoate is sourced from PubChem (CID 67204162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).