prop-2-enyl 2-hydroxypent-4-enoate

C8H12O3 — CID 19068684

IUPACprop-2-enyl 2-hydroxypent-4-enoate
SMILESC=CCOC(=O)C(O)CC=C
InChIInChI=1S/C8H12O3/c1-3-5-7(9)8(10)11-6-4-2/h3-4,7,9H,1-2,5-6H2
InChIKeyISBMMTPCGRCYHJ-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.65
Rot. Bonds5

About prop-2-enyl 2-hydroxypent-4-enoate

prop-2-enyl 2-hydroxypent-4-enoate (PubChem CID 19068684) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is prop-2-enyl 2-hydroxypent-4-enoate.

Molecular Properties

Compound Nameprop-2-enyl 2-hydroxypent-4-enoate
PubChem CID19068684
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Nameprop-2-enyl 2-hydroxypent-4-enoate
SMILESC=CCOC(=O)C(O)CC=C
InChIInChI=1S/C8H12O3/c1-3-5-7(9)8(10)11-6-4-2/h3-4,7,9H,1-2,5-6H2
InChIKeyISBMMTPCGRCYHJ-UHFFFAOYSA-N
XLogP0.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-hydroxypent-4-enoate?
The IUPAC name of prop-2-enyl 2-hydroxypent-4-enoate (CID 19068684) is prop-2-enyl 2-hydroxypent-4-enoate.
What is the SMILES notation for prop-2-enyl 2-hydroxypent-4-enoate?
The canonical SMILES for prop-2-enyl 2-hydroxypent-4-enoate is C=CCOC(=O)C(O)CC=C.
What is the InChIKey of prop-2-enyl 2-hydroxypent-4-enoate?
The InChIKey is ISBMMTPCGRCYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-3-5-7(9)8(10)11-6-4-2/h3-4,7,9H,1-2,5-6H2.
What are the key properties of prop-2-enyl 2-hydroxypent-4-enoate?
prop-2-enyl 2-hydroxypent-4-enoate has a molecular weight of 156.18 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-hydroxypent-4-enoate is sourced from PubChem (CID 19068684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).