5-[4-[3-[4-(oxolan-2-yl)butoxy]propoxy]butyl]oxolan-2-one

C19H34O5 — CID 141116006

IUPAC5-[4-[3-[4-(oxolan-2-yl)butoxy]propoxy]butyl]oxolan-2-one
SMILESO=C1CCC(CCCCOCCCOCCCCC2CCCO2)O1
InChIInChI=1S/C19H34O5/c20-19-11-10-18(24-19)8-2-4-13-22-15-6-14-21-12-3-1-7-17-9-5-16-23-17/h17-18H,1-16H2
InChIKeyFWQACOHRNALRIP-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.63
Rot. Bonds14

About 5-[4-[3-[4-(oxolan-2-yl)butoxy]propoxy]butyl]oxolan-2-one

5-[4-[3-[4-(oxolan-2-yl)butoxy]propoxy]butyl]oxolan-2-one (PubChem CID 141116006) has the molecular formula C19H34O5 and a molecular weight of 342.48 g/mol. Its IUPAC name is 5-[4-[3-[4-(oxolan-2-yl)butoxy]propoxy]butyl]oxolan-2-one.

Molecular Properties

Compound Name5-[4-[3-[4-(oxolan-2-yl)butoxy]propoxy]butyl]oxolan-2-one
PubChem CID141116006
Molecular FormulaC19H34O5
Molecular Weight342.48 g/mol
Exact Mass342.24
IUPAC Name5-[4-[3-[4-(oxolan-2-yl)butoxy]propoxy]butyl]oxolan-2-one
SMILESO=C1CCC(CCCCOCCCOCCCCC2CCCO2)O1
InChIInChI=1S/C19H34O5/c20-19-11-10-18(24-19)8-2-4-13-22-15-6-14-21-12-3-1-7-17-9-5-16-23-17/h17-18H,1-16H2
InChIKeyFWQACOHRNALRIP-UHFFFAOYSA-N
XLogP3.63
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[4-[3-[4-(oxolan-2-yl)butoxy]propoxy]butyl]oxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[5-(oxetan-2-yl)pentoxy]pentyl]oxetane
CID 68621187
3-[3-(oxolan-2-yl)propyl]cyclopentan-1-one
CID 65165417
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925
5-[3-[3-[2-(2,3-dihydrofuran-5-yl)ethoxy]propoxy]propyl]oxolan-2-one
CID 90801981
(5S)-5-tridecyloxolan-2-one
CID 11065462
5-octyloxolan-2-one
CID 16821
(5S)-5-pentacosyloxolan-2-one
CID 11102176
(5R)-5-butyloxolan-2-one
CID 7057971
2-[3-(oxiran-2-yl)propyl]oxolane
CID 115410470
5-[3-[3-[3-(5-oxooxolan-2-yl)propylsulfanyl]propylsulfanyl]propyl]oxolan-2-one
CID 20633469
6-icosyloxan-2-one
CID 100966702
5-hex-5-enyloxolan-2-one
CID 15818771

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-[4-(oxolan-2-yl)butoxy]propoxy]butyl]oxolan-2-one?
The IUPAC name of 5-[4-[3-[4-(oxolan-2-yl)butoxy]propoxy]butyl]oxolan-2-one (CID 141116006) is 5-[4-[3-[4-(oxolan-2-yl)butoxy]propoxy]butyl]oxolan-2-one.
What is the SMILES notation for 5-[4-[3-[4-(oxolan-2-yl)butoxy]propoxy]butyl]oxolan-2-one?
The canonical SMILES for 5-[4-[3-[4-(oxolan-2-yl)butoxy]propoxy]butyl]oxolan-2-one is O=C1CCC(CCCCOCCCOCCCCC2CCCO2)O1.
What is the InChIKey of 5-[4-[3-[4-(oxolan-2-yl)butoxy]propoxy]butyl]oxolan-2-one?
The InChIKey is FWQACOHRNALRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O5/c20-19-11-10-18(24-19)8-2-4-13-22-15-6-14-21-12-3-1-7-17-9-5-16-23-17/h17-18H,1-16H2.
What are the key properties of 5-[4-[3-[4-(oxolan-2-yl)butoxy]propoxy]butyl]oxolan-2-one?
5-[4-[3-[4-(oxolan-2-yl)butoxy]propoxy]butyl]oxolan-2-one has a molecular weight of 342.48 g/mol, XLogP of 3.63, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-[4-(oxolan-2-yl)butoxy]propoxy]butyl]oxolan-2-one is sourced from PubChem (CID 141116006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).