[(E)-2-hydroxyprop-1-enyl] 2-methylprop-2-enoate

C7H10O3 — CID 139627237

IUPAC[(E)-2-hydroxyprop-1-enyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O/C=C(\C)O
InChIInChI=1S/C7H10O3/c1-5(2)7(9)10-4-6(3)8/h4,8H,1H2,2-3H3/b6-4+
InChIKeyXGHHFYMMYIBFLW-GQCTYLIASA-N
MW142.15 g/mol
LogP1.52
Rot. Bonds2

About [(E)-2-hydroxyprop-1-enyl] 2-methylprop-2-enoate

[(E)-2-hydroxyprop-1-enyl] 2-methylprop-2-enoate (PubChem CID 139627237) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is [(E)-2-hydroxyprop-1-enyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[(E)-2-hydroxyprop-1-enyl] 2-methylprop-2-enoate
PubChem CID139627237
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name[(E)-2-hydroxyprop-1-enyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O/C=C(\C)O
InChIInChI=1S/C7H10O3/c1-5(2)7(9)10-4-6(3)8/h4,8H,1H2,2-3H3/b6-4+
InChIKeyXGHHFYMMYIBFLW-GQCTYLIASA-N
XLogP1.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis(2-hydroxyprop-1-enyl) carbonate
CID 173209007
2-(2-methylprop-2-enoyloxymethylidene)pentanoic acid
CID 91478998
but-2-en-2-yl 2-methylprop-2-enoate
CID 57052528
2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
ethenyl 2-methylprop-2-enoate isocyanate
CID 22239289
(1-methylcyclohexyl) 2-methylprop-2-enoate;2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoic acid
CID 158058117
acetic acid;2-methylprop-1-ene
CID 139328555
2-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxyprop-2-enoic acid
CID 154089155
[3-(ethylamino)-3-oxoprop-1-enyl] 2-methylprop-2-enoate
CID 151233614
octadecyl (E)-2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate
CID 139632797
2-[3-[3,5-bis[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]-5-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123774805
methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;trihydrochloride
CID 172746567

Frequently Asked Questions

What is the IUPAC name of [(E)-2-hydroxyprop-1-enyl] 2-methylprop-2-enoate?
The IUPAC name of [(E)-2-hydroxyprop-1-enyl] 2-methylprop-2-enoate (CID 139627237) is [(E)-2-hydroxyprop-1-enyl] 2-methylprop-2-enoate.
What is the SMILES notation for [(E)-2-hydroxyprop-1-enyl] 2-methylprop-2-enoate?
The canonical SMILES for [(E)-2-hydroxyprop-1-enyl] 2-methylprop-2-enoate is C=C(C)C(=O)O/C=C(\C)O.
What is the InChIKey of [(E)-2-hydroxyprop-1-enyl] 2-methylprop-2-enoate?
The InChIKey is XGHHFYMMYIBFLW-GQCTYLIASA-N. The full InChI is InChI=1S/C7H10O3/c1-5(2)7(9)10-4-6(3)8/h4,8H,1H2,2-3H3/b6-4+.
What are the key properties of [(E)-2-hydroxyprop-1-enyl] 2-methylprop-2-enoate?
[(E)-2-hydroxyprop-1-enyl] 2-methylprop-2-enoate has a molecular weight of 142.15 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-hydroxyprop-1-enyl] 2-methylprop-2-enoate is sourced from PubChem (CID 139627237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).