1-[5-(hydroxymethyl)oxolan-2-yl]ethenyl prop-2-enoate

C10H14O4 — CID 67953662

IUPAC1-[5-(hydroxymethyl)oxolan-2-yl]ethenyl prop-2-enoate
SMILESC=CC(=O)OC(=C)C1CCC(CO)O1
InChIInChI=1S/C10H14O4/c1-3-10(12)13-7(2)9-5-4-8(6-11)14-9/h3,8-9,11H,1-2,4-6H2
InChIKeyJNMWAUXFTWEYRS-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.77
Rot. Bonds4

About 1-[5-(hydroxymethyl)oxolan-2-yl]ethenyl prop-2-enoate

1-[5-(hydroxymethyl)oxolan-2-yl]ethenyl prop-2-enoate (PubChem CID 67953662) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-[5-(hydroxymethyl)oxolan-2-yl]ethenyl prop-2-enoate.

Molecular Properties

Compound Name1-[5-(hydroxymethyl)oxolan-2-yl]ethenyl prop-2-enoate
PubChem CID67953662
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name1-[5-(hydroxymethyl)oxolan-2-yl]ethenyl prop-2-enoate
SMILESC=CC(=O)OC(=C)C1CCC(CO)O1
InChIInChI=1S/C10H14O4/c1-3-10(12)13-7(2)9-5-4-8(6-11)14-9/h3,8-9,11H,1-2,4-6H2
InChIKeyJNMWAUXFTWEYRS-UHFFFAOYSA-N
XLogP0.77
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(hydroxymethyl)oxolan-2-yl]ethenyl prop-2-enoate?
The IUPAC name of 1-[5-(hydroxymethyl)oxolan-2-yl]ethenyl prop-2-enoate (CID 67953662) is 1-[5-(hydroxymethyl)oxolan-2-yl]ethenyl prop-2-enoate.
What is the SMILES notation for 1-[5-(hydroxymethyl)oxolan-2-yl]ethenyl prop-2-enoate?
The canonical SMILES for 1-[5-(hydroxymethyl)oxolan-2-yl]ethenyl prop-2-enoate is C=CC(=O)OC(=C)C1CCC(CO)O1.
What is the InChIKey of 1-[5-(hydroxymethyl)oxolan-2-yl]ethenyl prop-2-enoate?
The InChIKey is JNMWAUXFTWEYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-3-10(12)13-7(2)9-5-4-8(6-11)14-9/h3,8-9,11H,1-2,4-6H2.
What are the key properties of 1-[5-(hydroxymethyl)oxolan-2-yl]ethenyl prop-2-enoate?
1-[5-(hydroxymethyl)oxolan-2-yl]ethenyl prop-2-enoate has a molecular weight of 198.22 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(hydroxymethyl)oxolan-2-yl]ethenyl prop-2-enoate is sourced from PubChem (CID 67953662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).