[2-hydroxy-3-(6-oxooxan-2-yl)propyl] prop-2-enoate

C11H16O5 — CID 20736069

IUPAC[2-hydroxy-3-(6-oxooxan-2-yl)propyl] prop-2-enoate
SMILESC=CC(=O)OCC(O)CC1CCCC(=O)O1
InChIInChI=1S/C11H16O5/c1-2-10(13)15-7-8(12)6-9-4-3-5-11(14)16-9/h2,8-9,12H,1,3-7H2
InChIKeyKGYRIOIRVDZBJK-UHFFFAOYSA-N
MW228.24 g/mol
LogP0.56
Rot. Bonds5

About [2-hydroxy-3-(6-oxooxan-2-yl)propyl] prop-2-enoate

[2-hydroxy-3-(6-oxooxan-2-yl)propyl] prop-2-enoate (PubChem CID 20736069) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is [2-hydroxy-3-(6-oxooxan-2-yl)propyl] prop-2-enoate.

Molecular Properties

Compound Name[2-hydroxy-3-(6-oxooxan-2-yl)propyl] prop-2-enoate
PubChem CID20736069
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name[2-hydroxy-3-(6-oxooxan-2-yl)propyl] prop-2-enoate
SMILESC=CC(=O)OCC(O)CC1CCCC(=O)O1
InChIInChI=1S/C11H16O5/c1-2-10(13)15-7-8(12)6-9-4-3-5-11(14)16-9/h2,8-9,12H,1,3-7H2
InChIKeyKGYRIOIRVDZBJK-UHFFFAOYSA-N
XLogP0.56
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-hydroxy-3-(6-oxooxan-2-yl)propyl] prop-2-enoate?
The IUPAC name of [2-hydroxy-3-(6-oxooxan-2-yl)propyl] prop-2-enoate (CID 20736069) is [2-hydroxy-3-(6-oxooxan-2-yl)propyl] prop-2-enoate.
What is the SMILES notation for [2-hydroxy-3-(6-oxooxan-2-yl)propyl] prop-2-enoate?
The canonical SMILES for [2-hydroxy-3-(6-oxooxan-2-yl)propyl] prop-2-enoate is C=CC(=O)OCC(O)CC1CCCC(=O)O1.
What is the InChIKey of [2-hydroxy-3-(6-oxooxan-2-yl)propyl] prop-2-enoate?
The InChIKey is KGYRIOIRVDZBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c1-2-10(13)15-7-8(12)6-9-4-3-5-11(14)16-9/h2,8-9,12H,1,3-7H2.
What are the key properties of [2-hydroxy-3-(6-oxooxan-2-yl)propyl] prop-2-enoate?
[2-hydroxy-3-(6-oxooxan-2-yl)propyl] prop-2-enoate has a molecular weight of 228.24 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(6-oxooxan-2-yl)propyl] prop-2-enoate is sourced from PubChem (CID 20736069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).