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

C14H26O2 — CID 122444625

IUPAC2-[2-(oxan-2-yl)butan-2-yl]oxane
SMILESCCC(C)(C1CCCCO1)C1CCCCO1
InChIInChI=1S/C14H26O2/c1-3-14(2,12-8-4-6-10-15-12)13-9-5-7-11-16-13/h12-13H,3-11H2,1-2H3
InChIKeyJXFFQMUSXVPYMO-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.54
Rot. Bonds3

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

2-[2-(oxan-2-yl)butan-2-yl]oxane (PubChem CID 122444625) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[2-(oxan-2-yl)butan-2-yl]oxane.

Molecular Properties

Compound Name2-[2-(oxan-2-yl)butan-2-yl]oxane
PubChem CID122444625
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-[2-(oxan-2-yl)butan-2-yl]oxane
SMILESCCC(C)(C1CCCCO1)C1CCCCO1
InChIInChI=1S/C14H26O2/c1-3-14(2,12-8-4-6-10-15-12)13-9-5-7-11-16-13/h12-13H,3-11H2,1-2H3
InChIKeyJXFFQMUSXVPYMO-UHFFFAOYSA-N
XLogP3.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.54
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)butan-2-yl]oxane?
The IUPAC name of 2-[2-(oxan-2-yl)butan-2-yl]oxane (CID 122444625) is 2-[2-(oxan-2-yl)butan-2-yl]oxane.
What is the SMILES notation for 2-[2-(oxan-2-yl)butan-2-yl]oxane?
The canonical SMILES for 2-[2-(oxan-2-yl)butan-2-yl]oxane is CCC(C)(C1CCCCO1)C1CCCCO1.
What is the InChIKey of 2-[2-(oxan-2-yl)butan-2-yl]oxane?
The InChIKey is JXFFQMUSXVPYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-3-14(2,12-8-4-6-10-15-12)13-9-5-7-11-16-13/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-[2-(oxan-2-yl)butan-2-yl]oxane?
2-[2-(oxan-2-yl)butan-2-yl]oxane has a molecular weight of 226.36 g/mol, XLogP of 3.54, 3 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)butan-2-yl]oxane is sourced from PubChem (CID 122444625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).