prop-2-enyl 2-chloro-2-methylpropanoate

C7H11ClO2 — CID 21285838

IUPACprop-2-enyl 2-chloro-2-methylpropanoate
SMILESC=CCOC(=O)C(C)(C)Cl
InChIInChI=1S/C7H11ClO2/c1-4-5-10-6(9)7(2,3)8/h4H,1,5H2,2-3H3
InChIKeyPPGLDCGXDQTBSC-UHFFFAOYSA-N
MW162.62 g/mol
LogP1.73
Rot. Bonds3

About prop-2-enyl 2-chloro-2-methylpropanoate

prop-2-enyl 2-chloro-2-methylpropanoate (PubChem CID 21285838) has the molecular formula C7H11ClO2 and a molecular weight of 162.62 g/mol. Its IUPAC name is prop-2-enyl 2-chloro-2-methylpropanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-chloro-2-methylpropanoate
PubChem CID21285838
Molecular FormulaC7H11ClO2
Molecular Weight162.62 g/mol
Exact Mass162.04
IUPAC Nameprop-2-enyl 2-chloro-2-methylpropanoate
SMILESC=CCOC(=O)C(C)(C)Cl
InChIInChI=1S/C7H11ClO2/c1-4-5-10-6(9)7(2,3)8/h4H,1,5H2,2-3H3
InChIKeyPPGLDCGXDQTBSC-UHFFFAOYSA-N
XLogP1.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 2-chloro-3,3,3-trifluoro-2-methylpropanoate
CID 87523010
prop-2-enyl 2,2-dimethylbutanoate
CID 18714422
1-O-ethyl 4-O-prop-2-enyl 2,2,3,3-tetramethylbutanedioate
CID 59122625
prop-2-enyl 2,2-dimethyl-4-oxobutanoate
CID 163211524
bis(prop-2-enyl) 2-(aminooxymethyl)-2-methylpropanedioate
CID 121263061
chloromethane;prop-2-enyl propanoate
CID 174815872
nickel;prop-2-enyl 2,2,2-trifluoroacetate
CID 88780784
palladium;prop-2-enyl 2,2,2-trifluoroacetate
CID 175036312
prop-2-enyl 2,2-bis(prop-2-enyl)pent-4-enoate
CID 87234106
prop-2-enyl 2,2-dibromobutanoate
CID 88675636
2-(2-methylprop-2-enoyloxy)ethyl 2-chloro-2-methylpropanoate
CID 20815885
prop-2-enyl (2S)-2,3-dihydroxy-3-methylbutanoate
CID 11401049

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-chloro-2-methylpropanoate?
The IUPAC name of prop-2-enyl 2-chloro-2-methylpropanoate (CID 21285838) is prop-2-enyl 2-chloro-2-methylpropanoate.
What is the SMILES notation for prop-2-enyl 2-chloro-2-methylpropanoate?
The canonical SMILES for prop-2-enyl 2-chloro-2-methylpropanoate is C=CCOC(=O)C(C)(C)Cl.
What is the InChIKey of prop-2-enyl 2-chloro-2-methylpropanoate?
The InChIKey is PPGLDCGXDQTBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO2/c1-4-5-10-6(9)7(2,3)8/h4H,1,5H2,2-3H3.
What are the key properties of prop-2-enyl 2-chloro-2-methylpropanoate?
prop-2-enyl 2-chloro-2-methylpropanoate has a molecular weight of 162.62 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-chloro-2-methylpropanoate is sourced from PubChem (CID 21285838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).