2-methyloxane;hydrochloride

C6H13ClO — CID 141105834

IUPAC2-methyloxane;hydrochloride
SMILESCC1CCCCO1.Cl
InChIInChI=1S/C6H12O.ClH/c1-6-4-2-3-5-7-6;/h6H,2-5H2,1H3;1H
InChIKeyVSUVIKFNFQORNQ-UHFFFAOYSA-N
MW136.62 g/mol
LogP2.00
Rot. Bonds

About 2-methyloxane;hydrochloride

2-methyloxane;hydrochloride (PubChem CID 141105834) has the molecular formula C6H13ClO and a molecular weight of 136.62 g/mol. Its IUPAC name is 2-methyloxane;hydrochloride.

Molecular Properties

Compound Name2-methyloxane;hydrochloride
PubChem CID141105834
Molecular FormulaC6H13ClO
Molecular Weight136.62 g/mol
Exact Mass136.07
IUPAC Name2-methyloxane;hydrochloride
SMILESCC1CCCCO1.Cl
InChIInChI=1S/C6H12O.ClH/c1-6-4-2-3-5-7-6;/h6H,2-5H2,1H3;1H
InChIKeyVSUVIKFNFQORNQ-UHFFFAOYSA-N
XLogP2.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.62
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyloxane;hydrochloride?
The IUPAC name of 2-methyloxane;hydrochloride (CID 141105834) is 2-methyloxane;hydrochloride.
What is the SMILES notation for 2-methyloxane;hydrochloride?
The canonical SMILES for 2-methyloxane;hydrochloride is CC1CCCCO1.Cl.
What is the InChIKey of 2-methyloxane;hydrochloride?
The InChIKey is VSUVIKFNFQORNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.ClH/c1-6-4-2-3-5-7-6;/h6H,2-5H2,1H3;1H.
What are the key properties of 2-methyloxane;hydrochloride?
2-methyloxane;hydrochloride has a molecular weight of 136.62 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxane;hydrochloride is sourced from PubChem (CID 141105834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).