3-(3-octoxypropyl)oxolane-2,5-dione

C15H26O4 — CID 23267318

IUPAC3-(3-octoxypropyl)oxolane-2,5-dione
SMILESCCCCCCCCOCCCC1CC(=O)OC1=O
InChIInChI=1S/C15H26O4/c1-2-3-4-5-6-7-10-18-11-8-9-13-12-14(16)19-15(13)17/h13H,2-12H2,1H3
InChIKeyMGOVQCWRZYNIDB-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.23
Rot. Bonds11

About 3-(3-octoxypropyl)oxolane-2,5-dione

3-(3-octoxypropyl)oxolane-2,5-dione (PubChem CID 23267318) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-(3-octoxypropyl)oxolane-2,5-dione.

Molecular Properties

Compound Name3-(3-octoxypropyl)oxolane-2,5-dione
PubChem CID23267318
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name3-(3-octoxypropyl)oxolane-2,5-dione
SMILESCCCCCCCCOCCCC1CC(=O)OC1=O
InChIInChI=1S/C15H26O4/c1-2-3-4-5-6-7-10-18-11-8-9-13-12-14(16)19-15(13)17/h13H,2-12H2,1H3
InChIKeyMGOVQCWRZYNIDB-UHFFFAOYSA-N
XLogP3.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.23
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-octoxypropyl)oxolane-2,5-dione?
The IUPAC name of 3-(3-octoxypropyl)oxolane-2,5-dione (CID 23267318) is 3-(3-octoxypropyl)oxolane-2,5-dione.
What is the SMILES notation for 3-(3-octoxypropyl)oxolane-2,5-dione?
The canonical SMILES for 3-(3-octoxypropyl)oxolane-2,5-dione is CCCCCCCCOCCCC1CC(=O)OC1=O.
What is the InChIKey of 3-(3-octoxypropyl)oxolane-2,5-dione?
The InChIKey is MGOVQCWRZYNIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-2-3-4-5-6-7-10-18-11-8-9-13-12-14(16)19-15(13)17/h13H,2-12H2,1H3.
What are the key properties of 3-(3-octoxypropyl)oxolane-2,5-dione?
3-(3-octoxypropyl)oxolane-2,5-dione has a molecular weight of 270.37 g/mol, XLogP of 3.23, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-octoxypropyl)oxolane-2,5-dione is sourced from PubChem (CID 23267318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).