ethenol;ethyl 2-methylprop-2-enoate

C8H14O3 — CID 174606807

IUPACethenol;ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC.C=CO
InChIInChI=1S/C6H10O2.C2H4O/c1-4-8-6(7)5(2)3;1-2-3/h2,4H2,1,3H3;2-3H,1H2
InChIKeyGCQDGTIXYXKBNP-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.81
Rot. Bonds2

About ethenol;ethyl 2-methylprop-2-enoate

ethenol;ethyl 2-methylprop-2-enoate (PubChem CID 174606807) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is ethenol;ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameethenol;ethyl 2-methylprop-2-enoate
PubChem CID174606807
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Nameethenol;ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC.C=CO
InChIInChI=1S/C6H10O2.C2H4O/c1-4-8-6(7)5(2)3;1-2-3/h2,4H2,1,3H3;2-3H,1H2
InChIKeyGCQDGTIXYXKBNP-UHFFFAOYSA-N
XLogP1.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.81
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

ethyl 2-methylprop-2-enoate
CID 130475774
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
ethyl 2-methylprop-2-enoate;methane
CID 159235789
sodium;ethyl 2-methylprop-2-enoate;hydride
CID 173442862
ethyl 2-methylprop-2-enoate;N-methylformamide
CID 158565771
butanedioic acid;bis(ethyl 2-methylprop-2-enoate)
CID 22400036
cyanic acid;ethyl 2-methylprop-2-enoate
CID 172737974
2-ethylbut-1-en-1-amine;ethyl 2-methylprop-2-enoate
CID 175401035
adamantane;ethyl 2-methylprop-2-enoate
CID 175529705
butan-2-ol;ethyl 2-methylprop-2-enoate
CID 91162607

Frequently Asked Questions

What is the IUPAC name of ethenol;ethyl 2-methylprop-2-enoate?
The IUPAC name of ethenol;ethyl 2-methylprop-2-enoate (CID 174606807) is ethenol;ethyl 2-methylprop-2-enoate.
What is the SMILES notation for ethenol;ethyl 2-methylprop-2-enoate?
The canonical SMILES for ethenol;ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC.C=CO.
What is the InChIKey of ethenol;ethyl 2-methylprop-2-enoate?
The InChIKey is GCQDGTIXYXKBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C2H4O/c1-4-8-6(7)5(2)3;1-2-3/h2,4H2,1,3H3;2-3H,1H2.
What are the key properties of ethenol;ethyl 2-methylprop-2-enoate?
ethenol;ethyl 2-methylprop-2-enoate has a molecular weight of 158.20 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenol;ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 174606807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).