2-(1-hydroxyprop-2-enyl)-4-[(E)-pent-1-enyl]-2,5-dihydrofuran-3-carboxylic acid

C13H18O4 — CID 56683161

IUPAC2-(1-hydroxyprop-2-enyl)-4-[(E)-pent-1-enyl]-2,5-dihydrofuran-3-carboxylic acid
SMILESC=CC(O)C1OCC(/C=C/CCC)=C1C(=O)O
InChIInChI=1S/C13H18O4/c1-3-5-6-7-9-8-17-12(10(14)4-2)11(9)13(15)16/h4,6-7,10,12,14H,2-3,5,8H2,1H3,(H,15,16)/b7-6+
InChIKeyAXKRXBDIECXYJX-VOTSOKGWSA-N
MW238.28 g/mol
LogP1.67
Rot. Bonds6

About 2-(1-hydroxyprop-2-enyl)-4-[(E)-pent-1-enyl]-2,5-dihydrofuran-3-carboxylic acid

2-(1-hydroxyprop-2-enyl)-4-[(E)-pent-1-enyl]-2,5-dihydrofuran-3-carboxylic acid (PubChem CID 56683161) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-(1-hydroxyprop-2-enyl)-4-[(E)-pent-1-enyl]-2,5-dihydrofuran-3-carboxylic acid.

Molecular Properties

Compound Name2-(1-hydroxyprop-2-enyl)-4-[(E)-pent-1-enyl]-2,5-dihydrofuran-3-carboxylic acid
PubChem CID56683161
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name2-(1-hydroxyprop-2-enyl)-4-[(E)-pent-1-enyl]-2,5-dihydrofuran-3-carboxylic acid
SMILESC=CC(O)C1OCC(/C=C/CCC)=C1C(=O)O
InChIInChI=1S/C13H18O4/c1-3-5-6-7-9-8-17-12(10(14)4-2)11(9)13(15)16/h4,6-7,10,12,14H,2-3,5,8H2,1H3,(H,15,16)/b7-6+
InChIKeyAXKRXBDIECXYJX-VOTSOKGWSA-N
XLogP1.67
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.67
H-Bond Donors ≤ 52
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 2-(1-hydroxyprop-2-enyl)-4-[(E)-pent-1-enyl]-2,5-dihydrofuran-3-carboxylic acid?
The IUPAC name of 2-(1-hydroxyprop-2-enyl)-4-[(E)-pent-1-enyl]-2,5-dihydrofuran-3-carboxylic acid (CID 56683161) is 2-(1-hydroxyprop-2-enyl)-4-[(E)-pent-1-enyl]-2,5-dihydrofuran-3-carboxylic acid.
What is the SMILES notation for 2-(1-hydroxyprop-2-enyl)-4-[(E)-pent-1-enyl]-2,5-dihydrofuran-3-carboxylic acid?
The canonical SMILES for 2-(1-hydroxyprop-2-enyl)-4-[(E)-pent-1-enyl]-2,5-dihydrofuran-3-carboxylic acid is C=CC(O)C1OCC(/C=C/CCC)=C1C(=O)O.
What is the InChIKey of 2-(1-hydroxyprop-2-enyl)-4-[(E)-pent-1-enyl]-2,5-dihydrofuran-3-carboxylic acid?
The InChIKey is AXKRXBDIECXYJX-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H18O4/c1-3-5-6-7-9-8-17-12(10(14)4-2)11(9)13(15)16/h4,6-7,10,12,14H,2-3,5,8H2,1H3,(H,15,16)/b7-6+.
What are the key properties of 2-(1-hydroxyprop-2-enyl)-4-[(E)-pent-1-enyl]-2,5-dihydrofuran-3-carboxylic acid?
2-(1-hydroxyprop-2-enyl)-4-[(E)-pent-1-enyl]-2,5-dihydrofuran-3-carboxylic acid has a molecular weight of 238.28 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyprop-2-enyl)-4-[(E)-pent-1-enyl]-2,5-dihydrofuran-3-carboxylic acid is sourced from PubChem (CID 56683161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).