(3-prop-2-enoyloxolan-3-yl) prop-2-enoate

C10H12O4 — CID 59772007

IUPAC(3-prop-2-enoyloxolan-3-yl) prop-2-enoate
SMILESC=CC(=O)OC1(C(=O)C=C)CCOC1
InChIInChI=1S/C10H12O4/c1-3-8(11)10(5-6-13-7-10)14-9(12)4-2/h3-4H,1-2,5-7H2
InChIKeyUMFOFLPXSVVWLX-UHFFFAOYSA-N
MW196.20 g/mol
LogP0.63
Rot. Bonds4

About (3-prop-2-enoyloxolan-3-yl) prop-2-enoate

(3-prop-2-enoyloxolan-3-yl) prop-2-enoate (PubChem CID 59772007) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is (3-prop-2-enoyloxolan-3-yl) prop-2-enoate.

Molecular Properties

Compound Name(3-prop-2-enoyloxolan-3-yl) prop-2-enoate
PubChem CID59772007
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name(3-prop-2-enoyloxolan-3-yl) prop-2-enoate
SMILESC=CC(=O)OC1(C(=O)C=C)CCOC1
InChIInChI=1S/C10H12O4/c1-3-8(11)10(5-6-13-7-10)14-9(12)4-2/h3-4H,1-2,5-7H2
InChIKeyUMFOFLPXSVVWLX-UHFFFAOYSA-N
XLogP0.63
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.63
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 (3-prop-2-enoyloxolan-3-yl) prop-2-enoate?
The IUPAC name of (3-prop-2-enoyloxolan-3-yl) prop-2-enoate (CID 59772007) is (3-prop-2-enoyloxolan-3-yl) prop-2-enoate.
What is the SMILES notation for (3-prop-2-enoyloxolan-3-yl) prop-2-enoate?
The canonical SMILES for (3-prop-2-enoyloxolan-3-yl) prop-2-enoate is C=CC(=O)OC1(C(=O)C=C)CCOC1.
What is the InChIKey of (3-prop-2-enoyloxolan-3-yl) prop-2-enoate?
The InChIKey is UMFOFLPXSVVWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-3-8(11)10(5-6-13-7-10)14-9(12)4-2/h3-4H,1-2,5-7H2.
What are the key properties of (3-prop-2-enoyloxolan-3-yl) prop-2-enoate?
(3-prop-2-enoyloxolan-3-yl) prop-2-enoate has a molecular weight of 196.20 g/mol, XLogP of 0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-prop-2-enoyloxolan-3-yl) prop-2-enoate is sourced from PubChem (CID 59772007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).