1-ethenoxy-2-methylpropane;hydrochloride

C6H13ClO — CID 71359407

IUPAC1-ethenoxy-2-methylpropane;hydrochloride
SMILESC=COCC(C)C.Cl
InChIInChI=1S/C6H12O.ClH/c1-4-7-5-6(2)3;/h4,6H,1,5H2,2-3H3;1H
InChIKeyTVNROHWNXQPHTC-UHFFFAOYSA-N
MW136.62 g/mol
LogP2.22
Rot. Bonds3

About 1-ethenoxy-2-methylpropane;hydrochloride

1-ethenoxy-2-methylpropane;hydrochloride (PubChem CID 71359407) has the molecular formula C6H13ClO and a molecular weight of 136.62 g/mol. Its IUPAC name is 1-ethenoxy-2-methylpropane;hydrochloride.

Molecular Properties

Compound Name1-ethenoxy-2-methylpropane;hydrochloride
PubChem CID71359407
Molecular FormulaC6H13ClO
Molecular Weight136.62 g/mol
Exact Mass136.07
IUPAC Name1-ethenoxy-2-methylpropane;hydrochloride
SMILESC=COCC(C)C.Cl
InChIInChI=1S/C6H12O.ClH/c1-4-7-5-6(2)3;/h4,6H,1,5H2,2-3H3;1H
InChIKeyTVNROHWNXQPHTC-UHFFFAOYSA-N
XLogP2.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.62
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-2-methylpropane;hydrochloride?
The IUPAC name of 1-ethenoxy-2-methylpropane;hydrochloride (CID 71359407) is 1-ethenoxy-2-methylpropane;hydrochloride.
What is the SMILES notation for 1-ethenoxy-2-methylpropane;hydrochloride?
The canonical SMILES for 1-ethenoxy-2-methylpropane;hydrochloride is C=COCC(C)C.Cl.
What is the InChIKey of 1-ethenoxy-2-methylpropane;hydrochloride?
The InChIKey is TVNROHWNXQPHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.ClH/c1-4-7-5-6(2)3;/h4,6H,1,5H2,2-3H3;1H.
What are the key properties of 1-ethenoxy-2-methylpropane;hydrochloride?
1-ethenoxy-2-methylpropane;hydrochloride has a molecular weight of 136.62 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2-methylpropane;hydrochloride is sourced from PubChem (CID 71359407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).