methyl 2-hydroxypent-4-enoate

C6H10O3 — CID 13397314

IUPACmethyl 2-hydroxypent-4-enoate
SMILESC=CCC(O)C(=O)OC
InChIInChI=1S/C6H10O3/c1-3-4-5(7)6(8)9-2/h3,5,7H,1,4H2,2H3
InChIKeyJZBUJSFCZCCWBE-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.10
Rot. Bonds3

About methyl 2-hydroxypent-4-enoate

methyl 2-hydroxypent-4-enoate (PubChem CID 13397314) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is methyl 2-hydroxypent-4-enoate.

Molecular Properties

Compound Namemethyl 2-hydroxypent-4-enoate
PubChem CID13397314
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Namemethyl 2-hydroxypent-4-enoate
SMILESC=CCC(O)C(=O)OC
InChIInChI=1S/C6H10O3/c1-3-4-5(7)6(8)9-2/h3,5,7H,1,4H2,2H3
InChIKeyJZBUJSFCZCCWBE-UHFFFAOYSA-N
XLogP0.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

beta-Vinyllactic acid
CID 172026
Methyl 2-hydroxybut-3-enoate
CID 545123
Ethyl 2-hydroxypent-4-enoate
CID 10986362
[(E)-oct-3-enyl] 2-hydroxybutanoate
CID 71460897
[(Z)-oct-3-enyl] 2-hydroxybutanoate
CID 71462591
[(E)-oct-4-enyl] 2-hydroxybutanoate
CID 71462592
methyl (2R)-2-hydroxypent-4-enoate
CID 13397315
[(Z)-oct-4-enyl] 2-hydroxybutanoate
CID 71457233
Ethyl 2-hydroxybut-3-enoate
CID 13271482
2-(But-3-en-1-yloxy)propanoic acid
CID 43128770
But-3-en-1-yl 2-hydroxypropanoate
CID 71419050
Propyl 2-hydroxybut-3-enoate
CID 130122526

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxypent-4-enoate?
The IUPAC name of methyl 2-hydroxypent-4-enoate (CID 13397314) is methyl 2-hydroxypent-4-enoate.
What is the SMILES notation for methyl 2-hydroxypent-4-enoate?
The canonical SMILES for methyl 2-hydroxypent-4-enoate is C=CCC(O)C(=O)OC.
What is the InChIKey of methyl 2-hydroxypent-4-enoate?
The InChIKey is JZBUJSFCZCCWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-3-4-5(7)6(8)9-2/h3,5,7H,1,4H2,2H3.
What are the key properties of methyl 2-hydroxypent-4-enoate?
methyl 2-hydroxypent-4-enoate has a molecular weight of 130.14 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxypent-4-enoate is sourced from PubChem (CID 13397314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).