2-[(E)-hex-2-enyl]-2-hydroxyindene-1,3-dione

C15H16O3 — CID 10014708

IUPAC2-[(E)-hex-2-enyl]-2-hydroxyindene-1,3-dione
SMILESCCC/C=C/CC1(O)C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H16O3/c1-2-3-4-7-10-15(18)13(16)11-8-5-6-9-12(11)14(15)17/h4-9,18H,2-3,10H2,1H3/b7-4+
InChIKeyCAVDPWYRAPPVJY-QPJJXVBHSA-N
MW244.29 g/mol
LogP2.54
Rot. Bonds4

About 2-[(E)-hex-2-enyl]-2-hydroxyindene-1,3-dione

2-[(E)-hex-2-enyl]-2-hydroxyindene-1,3-dione (PubChem CID 10014708) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[(E)-hex-2-enyl]-2-hydroxyindene-1,3-dione.

Molecular Properties

Compound Name2-[(E)-hex-2-enyl]-2-hydroxyindene-1,3-dione
PubChem CID10014708
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name2-[(E)-hex-2-enyl]-2-hydroxyindene-1,3-dione
SMILESCCC/C=C/CC1(O)C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H16O3/c1-2-3-4-7-10-15(18)13(16)11-8-5-6-9-12(11)14(15)17/h4-9,18H,2-3,10H2,1H3/b7-4+
InChIKeyCAVDPWYRAPPVJY-QPJJXVBHSA-N
XLogP2.54
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hex-2-enyl]-2-hydroxyindene-1,3-dione?
The IUPAC name of 2-[(E)-hex-2-enyl]-2-hydroxyindene-1,3-dione (CID 10014708) is 2-[(E)-hex-2-enyl]-2-hydroxyindene-1,3-dione.
What is the SMILES notation for 2-[(E)-hex-2-enyl]-2-hydroxyindene-1,3-dione?
The canonical SMILES for 2-[(E)-hex-2-enyl]-2-hydroxyindene-1,3-dione is CCC/C=C/CC1(O)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(E)-hex-2-enyl]-2-hydroxyindene-1,3-dione?
The InChIKey is CAVDPWYRAPPVJY-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H16O3/c1-2-3-4-7-10-15(18)13(16)11-8-5-6-9-12(11)14(15)17/h4-9,18H,2-3,10H2,1H3/b7-4+.
What are the key properties of 2-[(E)-hex-2-enyl]-2-hydroxyindene-1,3-dione?
2-[(E)-hex-2-enyl]-2-hydroxyindene-1,3-dione has a molecular weight of 244.29 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hex-2-enyl]-2-hydroxyindene-1,3-dione is sourced from PubChem (CID 10014708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).