ethyl 2-methylprop-2-enoate;hydrochloride

C6H11ClO2 — CID 87140934

IUPACethyl 2-methylprop-2-enoate;hydrochloride
SMILESC=C(C)C(=O)OCC.Cl
InChIInChI=1S/C6H10O2.ClH/c1-4-8-6(7)5(2)3;/h2,4H2,1,3H3;1H
InChIKeyUUFFXMPIDQJWET-UHFFFAOYSA-N
MW150.60 g/mol
LogP1.55
Rot. Bonds2

About ethyl 2-methylprop-2-enoate;hydrochloride

ethyl 2-methylprop-2-enoate;hydrochloride (PubChem CID 87140934) has the molecular formula C6H11ClO2 and a molecular weight of 150.60 g/mol. Its IUPAC name is ethyl 2-methylprop-2-enoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-methylprop-2-enoate;hydrochloride
PubChem CID87140934
Molecular FormulaC6H11ClO2
Molecular Weight150.60 g/mol
Exact Mass150.04
IUPAC Nameethyl 2-methylprop-2-enoate;hydrochloride
SMILESC=C(C)C(=O)OCC.Cl
InChIInChI=1S/C6H10O2.ClH/c1-4-8-6(7)5(2)3;/h2,4H2,1,3H3;1H
InChIKeyUUFFXMPIDQJWET-UHFFFAOYSA-N
XLogP1.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.60
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylprop-2-enoate;hydrochloride?
The IUPAC name of ethyl 2-methylprop-2-enoate;hydrochloride (CID 87140934) is ethyl 2-methylprop-2-enoate;hydrochloride.
What is the SMILES notation for ethyl 2-methylprop-2-enoate;hydrochloride?
The canonical SMILES for ethyl 2-methylprop-2-enoate;hydrochloride is C=C(C)C(=O)OCC.Cl.
What is the InChIKey of ethyl 2-methylprop-2-enoate;hydrochloride?
The InChIKey is UUFFXMPIDQJWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.ClH/c1-4-8-6(7)5(2)3;/h2,4H2,1,3H3;1H.
What are the key properties of ethyl 2-methylprop-2-enoate;hydrochloride?
ethyl 2-methylprop-2-enoate;hydrochloride has a molecular weight of 150.60 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylprop-2-enoate;hydrochloride is sourced from PubChem (CID 87140934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).