2-(oxolan-3-yloxy)oxane

C9H16O3 — CID 150073017

IUPAC2-(oxolan-3-yloxy)oxane
SMILESC1CCC(OC2CCOC2)OC1
InChIInChI=1S/C9H16O3/c1-2-5-11-9(3-1)12-8-4-6-10-7-8/h8-9H,1-7H2
InChIKeyDPRDHJGMLALGEA-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.32
Rot. Bonds2

About 2-(oxolan-3-yloxy)oxane

2-(oxolan-3-yloxy)oxane (PubChem CID 150073017) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-(oxolan-3-yloxy)oxane.

Molecular Properties

Compound Name2-(oxolan-3-yloxy)oxane
PubChem CID150073017
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-(oxolan-3-yloxy)oxane
SMILESC1CCC(OC2CCOC2)OC1
InChIInChI=1S/C9H16O3/c1-2-5-11-9(3-1)12-8-4-6-10-7-8/h8-9H,1-7H2
InChIKeyDPRDHJGMLALGEA-UHFFFAOYSA-N
XLogP1.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yloxy)oxane?
The IUPAC name of 2-(oxolan-3-yloxy)oxane (CID 150073017) is 2-(oxolan-3-yloxy)oxane.
What is the SMILES notation for 2-(oxolan-3-yloxy)oxane?
The canonical SMILES for 2-(oxolan-3-yloxy)oxane is C1CCC(OC2CCOC2)OC1.
What is the InChIKey of 2-(oxolan-3-yloxy)oxane?
The InChIKey is DPRDHJGMLALGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-2-5-11-9(3-1)12-8-4-6-10-7-8/h8-9H,1-7H2.
What are the key properties of 2-(oxolan-3-yloxy)oxane?
2-(oxolan-3-yloxy)oxane has a molecular weight of 172.22 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yloxy)oxane is sourced from PubChem (CID 150073017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).