oxane;hydrochloride

C5H11ClO — CID 19792615

IUPACoxane;hydrochloride
SMILESC1CCOCC1.Cl
InChIInChI=1S/C5H10O.ClH/c1-2-4-6-5-3-1;/h1-5H2;1H
InChIKeyFQROAMAHRSNCHM-UHFFFAOYSA-N
MW122.60 g/mol
LogP1.61
Rot. Bonds

About oxane;hydrochloride

oxane;hydrochloride (PubChem CID 19792615) has the molecular formula C5H11ClO and a molecular weight of 122.60 g/mol. Its IUPAC name is oxane;hydrochloride.

Molecular Properties

Compound Nameoxane;hydrochloride
PubChem CID19792615
Molecular FormulaC5H11ClO
Molecular Weight122.60 g/mol
Exact Mass122.05
IUPAC Nameoxane;hydrochloride
SMILESC1CCOCC1.Cl
InChIInChI=1S/C5H10O.ClH/c1-2-4-6-5-3-1;/h1-5H2;1H
InChIKeyFQROAMAHRSNCHM-UHFFFAOYSA-N
XLogP1.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.60
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of oxane;hydrochloride?
The IUPAC name of oxane;hydrochloride (CID 19792615) is oxane;hydrochloride.
What is the SMILES notation for oxane;hydrochloride?
The canonical SMILES for oxane;hydrochloride is C1CCOCC1.Cl.
What is the InChIKey of oxane;hydrochloride?
The InChIKey is FQROAMAHRSNCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.ClH/c1-2-4-6-5-3-1;/h1-5H2;1H.
What are the key properties of oxane;hydrochloride?
oxane;hydrochloride has a molecular weight of 122.60 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxane;hydrochloride is sourced from PubChem (CID 19792615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).