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

C13H24O2 — CID 90229557

IUPAC2-[2-(oxan-2-yl)propan-2-yl]oxane
SMILESCC(C)(C1CCCCO1)C1CCCCO1
InChIInChI=1S/C13H24O2/c1-13(2,11-7-3-5-9-14-11)12-8-4-6-10-15-12/h11-12H,3-10H2,1-2H3
InChIKeyVOUQXSHAYVRXTJ-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.15
Rot. Bonds2

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

2-[2-(oxan-2-yl)propan-2-yl]oxane (PubChem CID 90229557) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-[2-(oxan-2-yl)propan-2-yl]oxane.

Molecular Properties

Compound Name2-[2-(oxan-2-yl)propan-2-yl]oxane
PubChem CID90229557
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-[2-(oxan-2-yl)propan-2-yl]oxane
SMILESCC(C)(C1CCCCO1)C1CCCCO1
InChIInChI=1S/C13H24O2/c1-13(2,11-7-3-5-9-14-11)12-8-4-6-10-15-12/h11-12H,3-10H2,1-2H3
InChIKeyVOUQXSHAYVRXTJ-UHFFFAOYSA-N
XLogP3.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-2-yl)propan-2-yl]oxane?
The IUPAC name of 2-[2-(oxan-2-yl)propan-2-yl]oxane (CID 90229557) is 2-[2-(oxan-2-yl)propan-2-yl]oxane.
What is the SMILES notation for 2-[2-(oxan-2-yl)propan-2-yl]oxane?
The canonical SMILES for 2-[2-(oxan-2-yl)propan-2-yl]oxane is CC(C)(C1CCCCO1)C1CCCCO1.
What is the InChIKey of 2-[2-(oxan-2-yl)propan-2-yl]oxane?
The InChIKey is VOUQXSHAYVRXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-13(2,11-7-3-5-9-14-11)12-8-4-6-10-15-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-[2-(oxan-2-yl)propan-2-yl]oxane?
2-[2-(oxan-2-yl)propan-2-yl]oxane has a molecular weight of 212.33 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-2-yl)propan-2-yl]oxane is sourced from PubChem (CID 90229557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).