(6-oxooxan-2-yl) prop-2-enoate

C8H10O4 — CID 67204371

IUPAC(6-oxooxan-2-yl) prop-2-enoate
SMILESC=CC(=O)OC1CCCC(=O)O1
InChIInChI=1S/C8H10O4/c1-2-6(9)11-8-5-3-4-7(10)12-8/h2,8H,1,3-5H2
InChIKeyMRXBSTORJLUKSK-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.77
Rot. Bonds2

About (6-oxooxan-2-yl) prop-2-enoate

(6-oxooxan-2-yl) prop-2-enoate (PubChem CID 67204371) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is (6-oxooxan-2-yl) prop-2-enoate.

Molecular Properties

Compound Name(6-oxooxan-2-yl) prop-2-enoate
PubChem CID67204371
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name(6-oxooxan-2-yl) prop-2-enoate
SMILESC=CC(=O)OC1CCCC(=O)O1
InChIInChI=1S/C8H10O4/c1-2-6(9)11-8-5-3-4-7(10)12-8/h2,8H,1,3-5H2
InChIKeyMRXBSTORJLUKSK-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 (6-oxooxan-2-yl) prop-2-enoate?
The IUPAC name of (6-oxooxan-2-yl) prop-2-enoate (CID 67204371) is (6-oxooxan-2-yl) prop-2-enoate.
What is the SMILES notation for (6-oxooxan-2-yl) prop-2-enoate?
The canonical SMILES for (6-oxooxan-2-yl) prop-2-enoate is C=CC(=O)OC1CCCC(=O)O1.
What is the InChIKey of (6-oxooxan-2-yl) prop-2-enoate?
The InChIKey is MRXBSTORJLUKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-2-6(9)11-8-5-3-4-7(10)12-8/h2,8H,1,3-5H2.
What are the key properties of (6-oxooxan-2-yl) prop-2-enoate?
(6-oxooxan-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 (6-oxooxan-2-yl) prop-2-enoate is sourced from PubChem (CID 67204371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).