2-hex-5-enylcyclohexa-2,5-diene-1,4-dione

C12H14O2 — CID 134985879

IUPAC2-hex-5-enylcyclohexa-2,5-diene-1,4-dione
SMILESC=CCCCCC1=CC(=O)C=CC1=O
InChIInChI=1S/C12H14O2/c1-2-3-4-5-6-10-9-11(13)7-8-12(10)14/h2,7-9H,1,3-6H2
InChIKeyUYWWZKORAONSIF-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.37
Rot. Bonds5

About 2-hex-5-enylcyclohexa-2,5-diene-1,4-dione

2-hex-5-enylcyclohexa-2,5-diene-1,4-dione (PubChem CID 134985879) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-hex-5-enylcyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2-hex-5-enylcyclohexa-2,5-diene-1,4-dione
PubChem CID134985879
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-hex-5-enylcyclohexa-2,5-diene-1,4-dione
SMILESC=CCCCCC1=CC(=O)C=CC1=O
InChIInChI=1S/C12H14O2/c1-2-3-4-5-6-10-9-11(13)7-8-12(10)14/h2,7-9H,1,3-6H2
InChIKeyUYWWZKORAONSIF-UHFFFAOYSA-N
XLogP2.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hex-5-enylcyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2-hex-5-enylcyclohexa-2,5-diene-1,4-dione (CID 134985879) is 2-hex-5-enylcyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2-hex-5-enylcyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2-hex-5-enylcyclohexa-2,5-diene-1,4-dione is C=CCCCCC1=CC(=O)C=CC1=O.
What is the InChIKey of 2-hex-5-enylcyclohexa-2,5-diene-1,4-dione?
The InChIKey is UYWWZKORAONSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-3-4-5-6-10-9-11(13)7-8-12(10)14/h2,7-9H,1,3-6H2.
What are the key properties of 2-hex-5-enylcyclohexa-2,5-diene-1,4-dione?
2-hex-5-enylcyclohexa-2,5-diene-1,4-dione has a molecular weight of 190.24 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-5-enylcyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 134985879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).