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

C8H12O3 — CID 152547520

IUPAC(3-methyloxolan-2-yl) prop-2-enoate
SMILESC=CC(=O)OC1OCCC1C
InChIInChI=1S/C8H12O3/c1-3-7(9)11-8-6(2)4-5-10-8/h3,6,8H,1,4-5H2,2H3
InChIKeyYMUGUULUUOMYHB-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.10
Rot. Bonds2

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

(3-methyloxolan-2-yl) prop-2-enoate (PubChem CID 152547520) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (3-methyloxolan-2-yl) prop-2-enoate.

Molecular Properties

Compound Name(3-methyloxolan-2-yl) prop-2-enoate
PubChem CID152547520
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(3-methyloxolan-2-yl) prop-2-enoate
SMILESC=CC(=O)OC1OCCC1C
InChIInChI=1S/C8H12O3/c1-3-7(9)11-8-6(2)4-5-10-8/h3,6,8H,1,4-5H2,2H3
InChIKeyYMUGUULUUOMYHB-UHFFFAOYSA-N
XLogP1.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methyloxolan-2-yl) prop-2-enoate?
The IUPAC name of (3-methyloxolan-2-yl) prop-2-enoate (CID 152547520) is (3-methyloxolan-2-yl) prop-2-enoate.
What is the SMILES notation for (3-methyloxolan-2-yl) prop-2-enoate?
The canonical SMILES for (3-methyloxolan-2-yl) prop-2-enoate is C=CC(=O)OC1OCCC1C.
What is the InChIKey of (3-methyloxolan-2-yl) prop-2-enoate?
The InChIKey is YMUGUULUUOMYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-3-7(9)11-8-6(2)4-5-10-8/h3,6,8H,1,4-5H2,2H3.
What are the key properties of (3-methyloxolan-2-yl) prop-2-enoate?
(3-methyloxolan-2-yl) prop-2-enoate has a molecular weight of 156.18 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxolan-2-yl) prop-2-enoate is sourced from PubChem (CID 152547520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).