5-(1-pentoxyprop-2-enyl)oxolan-2-one

C12H20O3 — CID 70484637

IUPAC5-(1-pentoxyprop-2-enyl)oxolan-2-one
SMILESC=CC(OCCCCC)C1CCC(=O)O1
InChIInChI=1S/C12H20O3/c1-3-5-6-9-14-10(4-2)11-7-8-12(13)15-11/h4,10-11H,2-3,5-9H2,1H3
InChIKeySPPQJGIYKUTFAL-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.45
Rot. Bonds7

About 5-(1-pentoxyprop-2-enyl)oxolan-2-one

5-(1-pentoxyprop-2-enyl)oxolan-2-one (PubChem CID 70484637) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 5-(1-pentoxyprop-2-enyl)oxolan-2-one.

Molecular Properties

Compound Name5-(1-pentoxyprop-2-enyl)oxolan-2-one
PubChem CID70484637
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name5-(1-pentoxyprop-2-enyl)oxolan-2-one
SMILESC=CC(OCCCCC)C1CCC(=O)O1
InChIInChI=1S/C12H20O3/c1-3-5-6-9-14-10(4-2)11-7-8-12(13)15-11/h4,10-11H,2-3,5-9H2,1H3
InChIKeySPPQJGIYKUTFAL-UHFFFAOYSA-N
XLogP2.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-pentoxyprop-2-enyl)oxolan-2-one?
The IUPAC name of 5-(1-pentoxyprop-2-enyl)oxolan-2-one (CID 70484637) is 5-(1-pentoxyprop-2-enyl)oxolan-2-one.
What is the SMILES notation for 5-(1-pentoxyprop-2-enyl)oxolan-2-one?
The canonical SMILES for 5-(1-pentoxyprop-2-enyl)oxolan-2-one is C=CC(OCCCCC)C1CCC(=O)O1.
What is the InChIKey of 5-(1-pentoxyprop-2-enyl)oxolan-2-one?
The InChIKey is SPPQJGIYKUTFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-3-5-6-9-14-10(4-2)11-7-8-12(13)15-11/h4,10-11H,2-3,5-9H2,1H3.
What are the key properties of 5-(1-pentoxyprop-2-enyl)oxolan-2-one?
5-(1-pentoxyprop-2-enyl)oxolan-2-one has a molecular weight of 212.29 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-pentoxyprop-2-enyl)oxolan-2-one is sourced from PubChem (CID 70484637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).