3-[(Z)-hex-1-enyl]-5-hydroxy-5-methylfuran-2-one

C11H16O3 — CID 10655498

IUPAC3-[(Z)-hex-1-enyl]-5-hydroxy-5-methylfuran-2-one
SMILESCCCC/C=C\C1=CC(C)(O)OC1=O
InChIInChI=1S/C11H16O3/c1-3-4-5-6-7-9-8-11(2,13)14-10(9)12/h6-8,13H,3-5H2,1-2H3/b7-6-
InChIKeyDLESRUNXEOWSOI-SREVYHEPSA-N
MW196.25 g/mol
LogP1.92
Rot. Bonds4

About 3-[(Z)-hex-1-enyl]-5-hydroxy-5-methylfuran-2-one

3-[(Z)-hex-1-enyl]-5-hydroxy-5-methylfuran-2-one (PubChem CID 10655498) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-[(Z)-hex-1-enyl]-5-hydroxy-5-methylfuran-2-one.

Molecular Properties

Compound Name3-[(Z)-hex-1-enyl]-5-hydroxy-5-methylfuran-2-one
PubChem CID10655498
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name3-[(Z)-hex-1-enyl]-5-hydroxy-5-methylfuran-2-one
SMILESCCCC/C=C\C1=CC(C)(O)OC1=O
InChIInChI=1S/C11H16O3/c1-3-4-5-6-7-9-8-11(2,13)14-10(9)12/h6-8,13H,3-5H2,1-2H3/b7-6-
InChIKeyDLESRUNXEOWSOI-SREVYHEPSA-N
XLogP1.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-hex-1-enyl]-5-hydroxy-5-methylfuran-2-one?
The IUPAC name of 3-[(Z)-hex-1-enyl]-5-hydroxy-5-methylfuran-2-one (CID 10655498) is 3-[(Z)-hex-1-enyl]-5-hydroxy-5-methylfuran-2-one.
What is the SMILES notation for 3-[(Z)-hex-1-enyl]-5-hydroxy-5-methylfuran-2-one?
The canonical SMILES for 3-[(Z)-hex-1-enyl]-5-hydroxy-5-methylfuran-2-one is CCCC/C=C\C1=CC(C)(O)OC1=O.
What is the InChIKey of 3-[(Z)-hex-1-enyl]-5-hydroxy-5-methylfuran-2-one?
The InChIKey is DLESRUNXEOWSOI-SREVYHEPSA-N. The full InChI is InChI=1S/C11H16O3/c1-3-4-5-6-7-9-8-11(2,13)14-10(9)12/h6-8,13H,3-5H2,1-2H3/b7-6-.
What are the key properties of 3-[(Z)-hex-1-enyl]-5-hydroxy-5-methylfuran-2-one?
3-[(Z)-hex-1-enyl]-5-hydroxy-5-methylfuran-2-one has a molecular weight of 196.25 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-hex-1-enyl]-5-hydroxy-5-methylfuran-2-one is sourced from PubChem (CID 10655498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).