5-ethoxy-2-methylpent-2-enoic acid;ethyl 2-methylprop-2-enoate

C14H24O5 — CID 159729985

IUPAC5-ethoxy-2-methylpent-2-enoic acid;ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC.CCOCCC=C(C)C(=O)O
InChIInChI=1S/C8H14O3.C6H10O2/c1-3-11-6-4-5-7(2)8(9)10;1-4-8-6(7)5(2)3/h5H,3-4,6H2,1-2H3,(H,9,10);2,4H2,1,3H3
InChIKeyNBCRWWUXKPJTMP-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.57
Rot. Bonds7

About 5-ethoxy-2-methylpent-2-enoic acid;ethyl 2-methylprop-2-enoate

5-ethoxy-2-methylpent-2-enoic acid;ethyl 2-methylprop-2-enoate (PubChem CID 159729985) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is 5-ethoxy-2-methylpent-2-enoic acid;ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name5-ethoxy-2-methylpent-2-enoic acid;ethyl 2-methylprop-2-enoate
PubChem CID159729985
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name5-ethoxy-2-methylpent-2-enoic acid;ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC.CCOCCC=C(C)C(=O)O
InChIInChI=1S/C8H14O3.C6H10O2/c1-3-11-6-4-5-7(2)8(9)10;1-4-8-6(7)5(2)3/h5H,3-4,6H2,1-2H3,(H,9,10);2,4H2,1,3H3
InChIKeyNBCRWWUXKPJTMP-UHFFFAOYSA-N
XLogP2.57
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-6-ethoxy-2-methylhex-2-enoic acid
CID 87120210
ethyl 2-methylprop-2-enoate
CID 130475774
heptyl 2-methylprop-2-enoate;2-methyldec-2-enoic acid
CID 159623260
6-(dimethylamino)-2-methylhex-2-enoic acid;3-(dimethylamino)propyl 2-methylprop-2-enoate
CID 158407090
3-ethoxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 160952055
ethyl carbamate;5-hydroxy-2-methylpent-2-enoic acid;bis(2-methylprop-2-enoic acid)
CID 175878324
acetic acid;ethenyl 5-ethoxy-2-methylpent-2-enoate
CID 174587299
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethyl 2-methylprop-2-enoate;methane
CID 159235789
2-methyl-5-(2-propoxyethoxy)pent-2-enoic acid
CID 123853620

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-methylpent-2-enoic acid;ethyl 2-methylprop-2-enoate?
The IUPAC name of 5-ethoxy-2-methylpent-2-enoic acid;ethyl 2-methylprop-2-enoate (CID 159729985) is 5-ethoxy-2-methylpent-2-enoic acid;ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 5-ethoxy-2-methylpent-2-enoic acid;ethyl 2-methylprop-2-enoate?
The canonical SMILES for 5-ethoxy-2-methylpent-2-enoic acid;ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC.CCOCCC=C(C)C(=O)O.
What is the InChIKey of 5-ethoxy-2-methylpent-2-enoic acid;ethyl 2-methylprop-2-enoate?
The InChIKey is NBCRWWUXKPJTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3.C6H10O2/c1-3-11-6-4-5-7(2)8(9)10;1-4-8-6(7)5(2)3/h5H,3-4,6H2,1-2H3,(H,9,10);2,4H2,1,3H3.
What are the key properties of 5-ethoxy-2-methylpent-2-enoic acid;ethyl 2-methylprop-2-enoate?
5-ethoxy-2-methylpent-2-enoic acid;ethyl 2-methylprop-2-enoate has a molecular weight of 272.34 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-methylpent-2-enoic acid;ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 159729985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).