3-[3-[3-(2-oxooxolan-3-yl)oxypropoxy]propoxy]oxolan-2-one

C14H22O7 — CID 69069985

IUPAC3-[3-[3-(2-oxooxolan-3-yl)oxypropoxy]propoxy]oxolan-2-one
SMILESO=C1OCCC1OCCCOCCCOC1CCOC1=O
InChIInChI=1S/C14H22O7/c15-13-11(3-9-20-13)18-7-1-5-17-6-2-8-19-12-4-10-21-14(12)16/h11-12H,1-10H2
InChIKeyDRLLQKWSAUKFKT-UHFFFAOYSA-N
MW302.32 g/mol
LogP0.45
Rot. Bonds10

About 3-[3-[3-(2-oxooxolan-3-yl)oxypropoxy]propoxy]oxolan-2-one

3-[3-[3-(2-oxooxolan-3-yl)oxypropoxy]propoxy]oxolan-2-one (PubChem CID 69069985) has the molecular formula C14H22O7 and a molecular weight of 302.32 g/mol. Its IUPAC name is 3-[3-[3-(2-oxooxolan-3-yl)oxypropoxy]propoxy]oxolan-2-one.

Molecular Properties

Compound Name3-[3-[3-(2-oxooxolan-3-yl)oxypropoxy]propoxy]oxolan-2-one
PubChem CID69069985
Molecular FormulaC14H22O7
Molecular Weight302.32 g/mol
Exact Mass302.14
IUPAC Name3-[3-[3-(2-oxooxolan-3-yl)oxypropoxy]propoxy]oxolan-2-one
SMILESO=C1OCCC1OCCCOCCCOC1CCOC1=O
InChIInChI=1S/C14H22O7/c15-13-11(3-9-20-13)18-7-1-5-17-6-2-8-19-12-4-10-21-14(12)16/h11-12H,1-10H2
InChIKeyDRLLQKWSAUKFKT-UHFFFAOYSA-N
XLogP0.45
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(2-oxooxolan-3-yl)oxypropoxy]propoxy]oxolan-2-one?
The IUPAC name of 3-[3-[3-(2-oxooxolan-3-yl)oxypropoxy]propoxy]oxolan-2-one (CID 69069985) is 3-[3-[3-(2-oxooxolan-3-yl)oxypropoxy]propoxy]oxolan-2-one.
What is the SMILES notation for 3-[3-[3-(2-oxooxolan-3-yl)oxypropoxy]propoxy]oxolan-2-one?
The canonical SMILES for 3-[3-[3-(2-oxooxolan-3-yl)oxypropoxy]propoxy]oxolan-2-one is O=C1OCCC1OCCCOCCCOC1CCOC1=O.
What is the InChIKey of 3-[3-[3-(2-oxooxolan-3-yl)oxypropoxy]propoxy]oxolan-2-one?
The InChIKey is DRLLQKWSAUKFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O7/c15-13-11(3-9-20-13)18-7-1-5-17-6-2-8-19-12-4-10-21-14(12)16/h11-12H,1-10H2.
What are the key properties of 3-[3-[3-(2-oxooxolan-3-yl)oxypropoxy]propoxy]oxolan-2-one?
3-[3-[3-(2-oxooxolan-3-yl)oxypropoxy]propoxy]oxolan-2-one has a molecular weight of 302.32 g/mol, XLogP of 0.45, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(2-oxooxolan-3-yl)oxypropoxy]propoxy]oxolan-2-one is sourced from PubChem (CID 69069985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).