ethyl (E)-5-hydroxypent-2-enoate

C7H12O3 — CID 13062577

IUPACethyl (E)-5-hydroxypent-2-enoate
SMILESCCOC(=O)/C=C/CCO
InChIInChI=1S/C7H12O3/c1-2-10-7(9)5-3-4-6-8/h3,5,8H,2,4,6H2,1H3/b5-3+
InChIKeyRKKMALLAMABWKB-HWKANZROSA-N
MW144.17 g/mol
LogP0.49
Rot. Bonds4

About ethyl (E)-5-hydroxypent-2-enoate

ethyl (E)-5-hydroxypent-2-enoate (PubChem CID 13062577) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is ethyl (E)-5-hydroxypent-2-enoate.

Molecular Properties

Compound Nameethyl (E)-5-hydroxypent-2-enoate
PubChem CID13062577
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Nameethyl (E)-5-hydroxypent-2-enoate
SMILESCCOC(=O)/C=C/CCO
InChIInChI=1S/C7H12O3/c1-2-10-7(9)5-3-4-6-8/h3,5,8H,2,4,6H2,1H3/b5-3+
InChIKeyRKKMALLAMABWKB-HWKANZROSA-N
XLogP0.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-5-hydroxypent-2-enoate?
The IUPAC name of ethyl (E)-5-hydroxypent-2-enoate (CID 13062577) is ethyl (E)-5-hydroxypent-2-enoate.
What is the SMILES notation for ethyl (E)-5-hydroxypent-2-enoate?
The canonical SMILES for ethyl (E)-5-hydroxypent-2-enoate is CCOC(=O)/C=C/CCO.
What is the InChIKey of ethyl (E)-5-hydroxypent-2-enoate?
The InChIKey is RKKMALLAMABWKB-HWKANZROSA-N. The full InChI is InChI=1S/C7H12O3/c1-2-10-7(9)5-3-4-6-8/h3,5,8H,2,4,6H2,1H3/b5-3+.
What are the key properties of ethyl (E)-5-hydroxypent-2-enoate?
ethyl (E)-5-hydroxypent-2-enoate has a molecular weight of 144.17 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-5-hydroxypent-2-enoate is sourced from PubChem (CID 13062577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).