2-[2-(oxan-2-yloxy)propan-2-yloxy]oxane

C13H24O4 — CID 18680583

IUPAC2-[2-(oxan-2-yloxy)propan-2-yloxy]oxane
SMILESCC(C)(OC1CCCCO1)OC1CCCCO1
InChIInChI=1S/C13H24O4/c1-13(2,16-11-7-3-5-9-14-11)17-12-8-4-6-10-15-12/h11-12H,3-10H2,1-2H3
InChIKeyIBIAUWFOBXNKBU-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.81
Rot. Bonds4

About 2-[2-(oxan-2-yloxy)propan-2-yloxy]oxane

2-[2-(oxan-2-yloxy)propan-2-yloxy]oxane (PubChem CID 18680583) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[2-(oxan-2-yloxy)propan-2-yloxy]oxane.

Molecular Properties

Compound Name2-[2-(oxan-2-yloxy)propan-2-yloxy]oxane
PubChem CID18680583
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name2-[2-(oxan-2-yloxy)propan-2-yloxy]oxane
SMILESCC(C)(OC1CCCCO1)OC1CCCCO1
InChIInChI=1S/C13H24O4/c1-13(2,16-11-7-3-5-9-14-11)17-12-8-4-6-10-15-12/h11-12H,3-10H2,1-2H3
InChIKeyIBIAUWFOBXNKBU-UHFFFAOYSA-N
XLogP2.81
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methoxyoxepane
CID 24974084
2-(4-cyclopropyl-2-methylbut-3-yn-2-yl)oxyoxolane
CID 10313514
2-(3-methyl-2,3-dinitrobutan-2-yl)oxyoxane
CID 134985531
2,2,4-trimethyl-4-(oxan-2-yloxy)pentanoic acid
CID 167254183
oxan-2-yl 2,2-dimethylpropanoate
CID 10679121
2-methyl-2-(oxan-2-yloxy)-1-phenylpropan-1-one
CID 22163386
2-[(E)-prop-1-enoxy]oxane
CID 12835881
dimethyl-methylidene-(oxan-2-yloxy)-λ5-iodane
CID 163749083
ethane;formaldehyde;methane;2-methoxyoxane
CID 161263277
magnesium;2-ethoxyoxane;dichloride
CID 158421621
2-cycloheptyloxyoxane
CID 11735764
2-(2,3,3-trimethylbutoxy)oxane
CID 145356481

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-2-yloxy)propan-2-yloxy]oxane?
The IUPAC name of 2-[2-(oxan-2-yloxy)propan-2-yloxy]oxane (CID 18680583) is 2-[2-(oxan-2-yloxy)propan-2-yloxy]oxane.
What is the SMILES notation for 2-[2-(oxan-2-yloxy)propan-2-yloxy]oxane?
The canonical SMILES for 2-[2-(oxan-2-yloxy)propan-2-yloxy]oxane is CC(C)(OC1CCCCO1)OC1CCCCO1.
What is the InChIKey of 2-[2-(oxan-2-yloxy)propan-2-yloxy]oxane?
The InChIKey is IBIAUWFOBXNKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-13(2,16-11-7-3-5-9-14-11)17-12-8-4-6-10-15-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-[2-(oxan-2-yloxy)propan-2-yloxy]oxane?
2-[2-(oxan-2-yloxy)propan-2-yloxy]oxane has a molecular weight of 244.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-2-yloxy)propan-2-yloxy]oxane is sourced from PubChem (CID 18680583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).