3-(oxolan-3-ylmethoxy)oxane

C10H18O3 — CID 20725396

IUPAC3-(oxolan-3-ylmethoxy)oxane
SMILESC1COCC(OCC2CCOC2)C1
InChIInChI=1S/C10H18O3/c1-2-10(8-11-4-1)13-7-9-3-5-12-6-9/h9-10H,1-8H2
InChIKeyQWKPOQMEDZINNY-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.22
Rot. Bonds3

About 3-(oxolan-3-ylmethoxy)oxane

3-(oxolan-3-ylmethoxy)oxane (PubChem CID 20725396) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-(oxolan-3-ylmethoxy)oxane.

Molecular Properties

Compound Name3-(oxolan-3-ylmethoxy)oxane
PubChem CID20725396
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name3-(oxolan-3-ylmethoxy)oxane
SMILESC1COCC(OCC2CCOC2)C1
InChIInChI=1S/C10H18O3/c1-2-10(8-11-4-1)13-7-9-3-5-12-6-9/h9-10H,1-8H2
InChIKeyQWKPOQMEDZINNY-UHFFFAOYSA-N
XLogP1.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-Methylbutoxy)oxane
CID 14080834
2-[[3-(Methoxymethyl)oxolan-2-yl]methoxymethyl]-1,4-dioxane
CID 53663071
3-(2-Methylpropoxy)oxane
CID 53758540
4-Ethyl-3-methoxyoxane
CID 58035268
2,4-Dimethyl-3-propoxyoxolane
CID 68223994
(3S)-4-ethyl-3-methoxyoxane
CID 89128246
4-[1-(2-Methoxyethoxy)ethyl]oxane
CID 89199017
(4R)-2,4-dimethyl-3-propoxyoxolane
CID 89231419
(4S)-2,4-dimethyl-3-propoxyoxolane
CID 89258066
(4S)-3-ethoxy-2,4-dimethyloxolane
CID 89332944
2-[[3-(2-Methoxyethyl)oxolan-2-yl]methoxymethyl]-1,4-dioxane
CID 90914549
3-Ethoxy-4-methyloxane
CID 142658101

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-ylmethoxy)oxane?
The IUPAC name of 3-(oxolan-3-ylmethoxy)oxane (CID 20725396) is 3-(oxolan-3-ylmethoxy)oxane.
What is the SMILES notation for 3-(oxolan-3-ylmethoxy)oxane?
The canonical SMILES for 3-(oxolan-3-ylmethoxy)oxane is C1COCC(OCC2CCOC2)C1.
What is the InChIKey of 3-(oxolan-3-ylmethoxy)oxane?
The InChIKey is QWKPOQMEDZINNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-2-10(8-11-4-1)13-7-9-3-5-12-6-9/h9-10H,1-8H2.
What are the key properties of 3-(oxolan-3-ylmethoxy)oxane?
3-(oxolan-3-ylmethoxy)oxane has a molecular weight of 186.25 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-ylmethoxy)oxane is sourced from PubChem (CID 20725396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).