3-(2-pent-4-enoxyethyl)oxolane-2,5-dione

C11H16O4 — CID 58444624

IUPAC3-(2-pent-4-enoxyethyl)oxolane-2,5-dione
SMILESC=CCCCOCCC1CC(=O)OC1=O
InChIInChI=1S/C11H16O4/c1-2-3-4-6-14-7-5-9-8-10(12)15-11(9)13/h2,9H,1,3-8H2
InChIKeyZFUNAXCUQRTLNL-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.45
Rot. Bonds7

About 3-(2-pent-4-enoxyethyl)oxolane-2,5-dione

3-(2-pent-4-enoxyethyl)oxolane-2,5-dione (PubChem CID 58444624) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 3-(2-pent-4-enoxyethyl)oxolane-2,5-dione.

Molecular Properties

Compound Name3-(2-pent-4-enoxyethyl)oxolane-2,5-dione
PubChem CID58444624
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name3-(2-pent-4-enoxyethyl)oxolane-2,5-dione
SMILESC=CCCCOCCC1CC(=O)OC1=O
InChIInChI=1S/C11H16O4/c1-2-3-4-6-14-7-5-9-8-10(12)15-11(9)13/h2,9H,1,3-8H2
InChIKeyZFUNAXCUQRTLNL-UHFFFAOYSA-N
XLogP1.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-pent-4-enoxyethyl)oxolane-2,5-dione?
The IUPAC name of 3-(2-pent-4-enoxyethyl)oxolane-2,5-dione (CID 58444624) is 3-(2-pent-4-enoxyethyl)oxolane-2,5-dione.
What is the SMILES notation for 3-(2-pent-4-enoxyethyl)oxolane-2,5-dione?
The canonical SMILES for 3-(2-pent-4-enoxyethyl)oxolane-2,5-dione is C=CCCCOCCC1CC(=O)OC1=O.
What is the InChIKey of 3-(2-pent-4-enoxyethyl)oxolane-2,5-dione?
The InChIKey is ZFUNAXCUQRTLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-2-3-4-6-14-7-5-9-8-10(12)15-11(9)13/h2,9H,1,3-8H2.
What are the key properties of 3-(2-pent-4-enoxyethyl)oxolane-2,5-dione?
3-(2-pent-4-enoxyethyl)oxolane-2,5-dione has a molecular weight of 212.24 g/mol, XLogP of 1.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pent-4-enoxyethyl)oxolane-2,5-dione is sourced from PubChem (CID 58444624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).