4-[(Z)-hex-1-enyl]-2-(hydroxymethyl)-2H-furan-5-one

C11H16O3 — CID 10821721

IUPAC4-[(Z)-hex-1-enyl]-2-(hydroxymethyl)-2H-furan-5-one
SMILESCCCC/C=C\C1=CC(CO)OC1=O
InChIInChI=1S/C11H16O3/c1-2-3-4-5-6-9-7-10(8-12)14-11(9)13/h5-7,10,12H,2-4,8H2,1H3/b6-5-
InChIKeyFZRRPTRTJRUVKH-WAYWQWQTSA-N
MW196.25 g/mol
LogP1.58
Rot. Bonds5

About 4-[(Z)-hex-1-enyl]-2-(hydroxymethyl)-2H-furan-5-one

4-[(Z)-hex-1-enyl]-2-(hydroxymethyl)-2H-furan-5-one (PubChem CID 10821721) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-[(Z)-hex-1-enyl]-2-(hydroxymethyl)-2H-furan-5-one.

Molecular Properties

Compound Name4-[(Z)-hex-1-enyl]-2-(hydroxymethyl)-2H-furan-5-one
PubChem CID10821721
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name4-[(Z)-hex-1-enyl]-2-(hydroxymethyl)-2H-furan-5-one
SMILESCCCC/C=C\C1=CC(CO)OC1=O
InChIInChI=1S/C11H16O3/c1-2-3-4-5-6-9-7-10(8-12)14-11(9)13/h5-7,10,12H,2-4,8H2,1H3/b6-5-
InChIKeyFZRRPTRTJRUVKH-WAYWQWQTSA-N
XLogP1.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.58
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 4-[(Z)-hex-1-enyl]-2-(hydroxymethyl)-2H-furan-5-one?
The IUPAC name of 4-[(Z)-hex-1-enyl]-2-(hydroxymethyl)-2H-furan-5-one (CID 10821721) is 4-[(Z)-hex-1-enyl]-2-(hydroxymethyl)-2H-furan-5-one.
What is the SMILES notation for 4-[(Z)-hex-1-enyl]-2-(hydroxymethyl)-2H-furan-5-one?
The canonical SMILES for 4-[(Z)-hex-1-enyl]-2-(hydroxymethyl)-2H-furan-5-one is CCCC/C=C\C1=CC(CO)OC1=O.
What is the InChIKey of 4-[(Z)-hex-1-enyl]-2-(hydroxymethyl)-2H-furan-5-one?
The InChIKey is FZRRPTRTJRUVKH-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H16O3/c1-2-3-4-5-6-9-7-10(8-12)14-11(9)13/h5-7,10,12H,2-4,8H2,1H3/b6-5-.
What are the key properties of 4-[(Z)-hex-1-enyl]-2-(hydroxymethyl)-2H-furan-5-one?
4-[(Z)-hex-1-enyl]-2-(hydroxymethyl)-2H-furan-5-one has a molecular weight of 196.25 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-hex-1-enyl]-2-(hydroxymethyl)-2H-furan-5-one is sourced from PubChem (CID 10821721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).