oxane

C5H10O — CID 8894

IUPACoxane
SMILESC1CCOCC1
InChIInChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2
InChIKeyDHXVGJBLRPWPCS-UHFFFAOYSA-N
MW86.13 g/mol
LogP1.19
Rot. Bonds

About oxane

oxane (PubChem CID 8894) has the molecular formula C5H10O and a molecular weight of 86.13 g/mol. Its IUPAC name is oxane.

Molecular Properties

Compound Nameoxane
PubChem CID8894
Molecular FormulaC5H10O
Molecular Weight86.13 g/mol
Exact Mass86.07
IUPAC Nameoxane
SMILESC1CCOCC1
InChIInChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2
InChIKeyDHXVGJBLRPWPCS-UHFFFAOYSA-N
XLogP1.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.13
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of oxane?
The IUPAC name of oxane (CID 8894) is oxane.
What is the SMILES notation for oxane?
The canonical SMILES for oxane is C1CCOCC1.
What is the InChIKey of oxane?
The InChIKey is DHXVGJBLRPWPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2.
What are the key properties of oxane?
oxane has a molecular weight of 86.13 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxane is sourced from PubChem (CID 8894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).