2-[1,3,4-tris(oxolan-2-yloxy)butan-2-yloxy]oxolane

C20H34O8 — CID 169311786

IUPAC2-[1,3,4-tris(oxolan-2-yloxy)butan-2-yloxy]oxolane
SMILESC1COC(OCC(OC2CCCO2)C(COC2CCCO2)OC2CCCO2)C1
InChIInChI=1S/C20H34O8/c1-5-17(21-9-1)25-13-15(27-19-7-3-11-23-19)16(28-20-8-4-12-24-20)14-26-18-6-2-10-22-18/h15-20H,1-14H2
InChIKeyXKFJIOZHOOURDX-UHFFFAOYSA-N
MW402.48 g/mol
LogP2.34
Rot. Bonds11

About 2-[1,3,4-tris(oxolan-2-yloxy)butan-2-yloxy]oxolane

2-[1,3,4-tris(oxolan-2-yloxy)butan-2-yloxy]oxolane (PubChem CID 169311786) has the molecular formula C20H34O8 and a molecular weight of 402.48 g/mol. Its IUPAC name is 2-[1,3,4-tris(oxolan-2-yloxy)butan-2-yloxy]oxolane.

Molecular Properties

Compound Name2-[1,3,4-tris(oxolan-2-yloxy)butan-2-yloxy]oxolane
PubChem CID169311786
Molecular FormulaC20H34O8
Molecular Weight402.48 g/mol
Exact Mass402.23
IUPAC Name2-[1,3,4-tris(oxolan-2-yloxy)butan-2-yloxy]oxolane
SMILESC1COC(OCC(OC2CCCO2)C(COC2CCCO2)OC2CCCO2)C1
InChIInChI=1S/C20H34O8/c1-5-17(21-9-1)25-13-15(27-19-7-3-11-23-19)16(28-20-8-4-12-24-20)14-26-18-6-2-10-22-18/h15-20H,1-14H2
InChIKeyXKFJIOZHOOURDX-UHFFFAOYSA-N
XLogP2.34
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[1,3,4-tris(oxolan-2-yloxy)butan-2-yloxy]oxolane 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

1-(oxolan-2-yloxy)propan-2-ol
CID 172822303
2-[4-(oxolan-2-yloxy)butoxy]-4-[5-[3-(oxolan-2-yloxy)-2-[5-[5-[1,3,4-tris(oxolan-2-yloxy)butan-2-yloxy]oxolan-2-yl]oxolan-2-yl]oxypropoxy]oxolan-2-yl]oxolane
CID 170407308
2-[2-[2-(oxolan-2-yloxy)ethoxy]ethoxy]oxolane
CID 70907878
2-(2,3,3-trimethylbutoxy)oxane
CID 145356481
2,2-difluoro-3,4-bis(oxan-2-yloxy)butanal
CID 154151752
2-amino-1-(oxolan-2-yloxy)pentan-3-ol
CID 153374047
2-(2-propylpentoxy)oxane
CID 175998246
2-(1,1,1,3,3,3-hexabromopropan-2-yloxy)oxolane
CID 18927784
2-[(2R)-2-methylpentoxy]oxane
CID 57327472
2-[(2R)-4-iodo-2-methylbutoxy]oxane
CID 11779415
2-(4-bromo-2,3-dimethylbutoxy)oxane
CID 14731941
(2S,3S)-2-methyl-3-(oxan-2-yloxy)butane-1,4-diol
CID 54016843

Frequently Asked Questions

What is the IUPAC name of 2-[1,3,4-tris(oxolan-2-yloxy)butan-2-yloxy]oxolane?
The IUPAC name of 2-[1,3,4-tris(oxolan-2-yloxy)butan-2-yloxy]oxolane (CID 169311786) is 2-[1,3,4-tris(oxolan-2-yloxy)butan-2-yloxy]oxolane.
What is the SMILES notation for 2-[1,3,4-tris(oxolan-2-yloxy)butan-2-yloxy]oxolane?
The canonical SMILES for 2-[1,3,4-tris(oxolan-2-yloxy)butan-2-yloxy]oxolane is C1COC(OCC(OC2CCCO2)C(COC2CCCO2)OC2CCCO2)C1.
What is the InChIKey of 2-[1,3,4-tris(oxolan-2-yloxy)butan-2-yloxy]oxolane?
The InChIKey is XKFJIOZHOOURDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O8/c1-5-17(21-9-1)25-13-15(27-19-7-3-11-23-19)16(28-20-8-4-12-24-20)14-26-18-6-2-10-22-18/h15-20H,1-14H2.
What are the key properties of 2-[1,3,4-tris(oxolan-2-yloxy)butan-2-yloxy]oxolane?
2-[1,3,4-tris(oxolan-2-yloxy)butan-2-yloxy]oxolane has a molecular weight of 402.48 g/mol, XLogP of 2.34, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3,4-tris(oxolan-2-yloxy)butan-2-yloxy]oxolane is sourced from PubChem (CID 169311786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).