oxane;1,4-xylene

C13H20O — CID 66995829

IUPACoxane;1,4-xylene
SMILESC1CCOCC1.Cc1ccc(C)cc1
InChIInChI=1S/C8H10.C5H10O/c1-7-3-5-8(2)6-4-7;1-2-4-6-5-3-1/h3-6H,1-2H3;1-5H2
InChIKeyQNAGIWIYHGEEEH-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.49
Rot. Bonds

About oxane;1,4-xylene

oxane;1,4-xylene (PubChem CID 66995829) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is oxane;1,4-xylene.

Molecular Properties

Compound Nameoxane;1,4-xylene
PubChem CID66995829
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Nameoxane;1,4-xylene
SMILESC1CCOCC1.Cc1ccc(C)cc1
InChIInChI=1S/C8H10.C5H10O/c1-7-3-5-8(2)6-4-7;1-2-4-6-5-3-1/h3-6H,1-2H3;1-5H2
InChIKeyQNAGIWIYHGEEEH-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of oxane;1,4-xylene?
The IUPAC name of oxane;1,4-xylene (CID 66995829) is oxane;1,4-xylene.
What is the SMILES notation for oxane;1,4-xylene?
The canonical SMILES for oxane;1,4-xylene is C1CCOCC1.Cc1ccc(C)cc1.
What is the InChIKey of oxane;1,4-xylene?
The InChIKey is QNAGIWIYHGEEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C5H10O/c1-7-3-5-8(2)6-4-7;1-2-4-6-5-3-1/h3-6H,1-2H3;1-5H2.
What are the key properties of oxane;1,4-xylene?
oxane;1,4-xylene has a molecular weight of 192.30 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxane;1,4-xylene is sourced from PubChem (CID 66995829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).