2-hydroxyethyl 2-[(6-oxooxan-2-yl)methyl]prop-2-enoate

C11H16O5 — CID 54268343

IUPAC2-hydroxyethyl 2-[(6-oxooxan-2-yl)methyl]prop-2-enoate
SMILESC=C(CC1CCCC(=O)O1)C(=O)OCCO
InChIInChI=1S/C11H16O5/c1-8(11(14)15-6-5-12)7-9-3-2-4-10(13)16-9/h9,12H,1-7H2
InChIKeyRIIZNPSGUAORBN-UHFFFAOYSA-N
MW228.24 g/mol
LogP0.56
Rot. Bonds5

About 2-hydroxyethyl 2-[(6-oxooxan-2-yl)methyl]prop-2-enoate

2-hydroxyethyl 2-[(6-oxooxan-2-yl)methyl]prop-2-enoate (PubChem CID 54268343) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is 2-hydroxyethyl 2-[(6-oxooxan-2-yl)methyl]prop-2-enoate.

Molecular Properties

Compound Name2-hydroxyethyl 2-[(6-oxooxan-2-yl)methyl]prop-2-enoate
PubChem CID54268343
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name2-hydroxyethyl 2-[(6-oxooxan-2-yl)methyl]prop-2-enoate
SMILESC=C(CC1CCCC(=O)O1)C(=O)OCCO
InChIInChI=1S/C11H16O5/c1-8(11(14)15-6-5-12)7-9-3-2-4-10(13)16-9/h9,12H,1-7H2
InChIKeyRIIZNPSGUAORBN-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-hydroxyethyl 2-[(6-oxooxan-2-yl)methyl]prop-2-enoate?
The IUPAC name of 2-hydroxyethyl 2-[(6-oxooxan-2-yl)methyl]prop-2-enoate (CID 54268343) is 2-hydroxyethyl 2-[(6-oxooxan-2-yl)methyl]prop-2-enoate.
What is the SMILES notation for 2-hydroxyethyl 2-[(6-oxooxan-2-yl)methyl]prop-2-enoate?
The canonical SMILES for 2-hydroxyethyl 2-[(6-oxooxan-2-yl)methyl]prop-2-enoate is C=C(CC1CCCC(=O)O1)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl 2-[(6-oxooxan-2-yl)methyl]prop-2-enoate?
The InChIKey is RIIZNPSGUAORBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c1-8(11(14)15-6-5-12)7-9-3-2-4-10(13)16-9/h9,12H,1-7H2.
What are the key properties of 2-hydroxyethyl 2-[(6-oxooxan-2-yl)methyl]prop-2-enoate?
2-hydroxyethyl 2-[(6-oxooxan-2-yl)methyl]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-hydroxyethyl 2-[(6-oxooxan-2-yl)methyl]prop-2-enoate is sourced from PubChem (CID 54268343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).