ethyl 2,2-dimethylpropanoate;hydrochloride

C7H15ClO2 — CID 141019550

IUPACethyl 2,2-dimethylpropanoate;hydrochloride
SMILESCCOC(=O)C(C)(C)C.Cl
InChIInChI=1S/C7H14O2.ClH/c1-5-9-6(8)7(2,3)4;/h5H2,1-4H3;1H
InChIKeyVMBVDANPLYCODU-UHFFFAOYSA-N
MW166.65 g/mol
LogP2.02
Rot. Bonds1

About ethyl 2,2-dimethylpropanoate;hydrochloride

ethyl 2,2-dimethylpropanoate;hydrochloride (PubChem CID 141019550) has the molecular formula C7H15ClO2 and a molecular weight of 166.65 g/mol. Its IUPAC name is ethyl 2,2-dimethylpropanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2,2-dimethylpropanoate;hydrochloride
PubChem CID141019550
Molecular FormulaC7H15ClO2
Molecular Weight166.65 g/mol
Exact Mass166.08
IUPAC Nameethyl 2,2-dimethylpropanoate;hydrochloride
SMILESCCOC(=O)C(C)(C)C.Cl
InChIInChI=1S/C7H14O2.ClH/c1-5-9-6(8)7(2,3)4;/h5H2,1-4H3;1H
InChIKeyVMBVDANPLYCODU-UHFFFAOYSA-N
XLogP2.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.65
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2,2-dimethylpropanoate;2-oxopropanoic acid
CID 157432719
(3-ethoxy-2-hydroxy-2-methyl-3-oxopropyl) 2,2-dimethylpropanoate
CID 58354404
diethyl 2-(2,2-dimethylpropanoyloxymethyl)-2-ethylpropanedioate
CID 88990098
ethoxycarbonyloxymethyl 2,2-dimethylpropanoate
CID 153463655
azidomethane;ethyl 2,2-dimethylpropanoate;phosphane
CID 161474918
ethyl 2-amino-2-methylbutanoate;hydrochloride
CID 175342051
ethane;ethyl 2-bromo-2-methylpropanoate
CID 142239978
(2-hydroxy-2-methylpropyl) 2,2-dimethylpropanoate
CID 10583373
ethyl 2,2-bis(sulfanyl)propanoate
CID 88516276
diethyl 2,2-ditert-butylpropanedioate
CID 141391919
ethyl 2,2,5,5-tetramethyl-4-oxohexanoate
CID 88882076
diethyl 2,2,3,3-tetrahydroxybutanedioate
CID 11264895

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-dimethylpropanoate;hydrochloride?
The IUPAC name of ethyl 2,2-dimethylpropanoate;hydrochloride (CID 141019550) is ethyl 2,2-dimethylpropanoate;hydrochloride.
What is the SMILES notation for ethyl 2,2-dimethylpropanoate;hydrochloride?
The canonical SMILES for ethyl 2,2-dimethylpropanoate;hydrochloride is CCOC(=O)C(C)(C)C.Cl.
What is the InChIKey of ethyl 2,2-dimethylpropanoate;hydrochloride?
The InChIKey is VMBVDANPLYCODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2.ClH/c1-5-9-6(8)7(2,3)4;/h5H2,1-4H3;1H.
What are the key properties of ethyl 2,2-dimethylpropanoate;hydrochloride?
ethyl 2,2-dimethylpropanoate;hydrochloride has a molecular weight of 166.65 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-dimethylpropanoate;hydrochloride is sourced from PubChem (CID 141019550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).