5-but-3-enyl-4-(1-hydroxypent-4-enyl)oxolan-2-one

C13H20O3 — CID 73174446

IUPAC5-but-3-enyl-4-(1-hydroxypent-4-enyl)oxolan-2-one
SMILESC=CCCC(O)C1CC(=O)OC1CCC=C
InChIInChI=1S/C13H20O3/c1-3-5-7-11(14)10-9-13(15)16-12(10)8-6-4-2/h3-4,10-12,14H,1-2,5-9H2
InChIKeyDKZMMQNVINZDNC-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.21
Rot. Bonds7

About 5-but-3-enyl-4-(1-hydroxypent-4-enyl)oxolan-2-one

5-but-3-enyl-4-(1-hydroxypent-4-enyl)oxolan-2-one (PubChem CID 73174446) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 5-but-3-enyl-4-(1-hydroxypent-4-enyl)oxolan-2-one.

Molecular Properties

Compound Name5-but-3-enyl-4-(1-hydroxypent-4-enyl)oxolan-2-one
PubChem CID73174446
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name5-but-3-enyl-4-(1-hydroxypent-4-enyl)oxolan-2-one
SMILESC=CCCC(O)C1CC(=O)OC1CCC=C
InChIInChI=1S/C13H20O3/c1-3-5-7-11(14)10-9-13(15)16-12(10)8-6-4-2/h3-4,10-12,14H,1-2,5-9H2
InChIKeyDKZMMQNVINZDNC-UHFFFAOYSA-N
XLogP2.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.21
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 5-but-3-enyl-4-(1-hydroxypent-4-enyl)oxolan-2-one?
The IUPAC name of 5-but-3-enyl-4-(1-hydroxypent-4-enyl)oxolan-2-one (CID 73174446) is 5-but-3-enyl-4-(1-hydroxypent-4-enyl)oxolan-2-one.
What is the SMILES notation for 5-but-3-enyl-4-(1-hydroxypent-4-enyl)oxolan-2-one?
The canonical SMILES for 5-but-3-enyl-4-(1-hydroxypent-4-enyl)oxolan-2-one is C=CCCC(O)C1CC(=O)OC1CCC=C.
What is the InChIKey of 5-but-3-enyl-4-(1-hydroxypent-4-enyl)oxolan-2-one?
The InChIKey is DKZMMQNVINZDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-3-5-7-11(14)10-9-13(15)16-12(10)8-6-4-2/h3-4,10-12,14H,1-2,5-9H2.
What are the key properties of 5-but-3-enyl-4-(1-hydroxypent-4-enyl)oxolan-2-one?
5-but-3-enyl-4-(1-hydroxypent-4-enyl)oxolan-2-one has a molecular weight of 224.30 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-enyl-4-(1-hydroxypent-4-enyl)oxolan-2-one is sourced from PubChem (CID 73174446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).