5-hex-5-en-2-ylidenecyclopenta-1,3-diene

C11H14 — CID 12502067

IUPAC5-hex-5-en-2-ylidenecyclopenta-1,3-diene
SMILESC=CCCC(C)=C1C=CC=C1
InChIInChI=1S/C11H14/c1-3-4-7-10(2)11-8-5-6-9-11/h3,5-6,8-9H,1,4,7H2,2H3
InChIKeyRARDBCCACVPOBE-UHFFFAOYSA-N
MW146.23 g/mol
LogP3.40
Rot. Bonds3

About 5-hex-5-en-2-ylidenecyclopenta-1,3-diene

5-hex-5-en-2-ylidenecyclopenta-1,3-diene (PubChem CID 12502067) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is 5-hex-5-en-2-ylidenecyclopenta-1,3-diene.

Molecular Properties

Compound Name5-hex-5-en-2-ylidenecyclopenta-1,3-diene
PubChem CID12502067
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name5-hex-5-en-2-ylidenecyclopenta-1,3-diene
SMILESC=CCCC(C)=C1C=CC=C1
InChIInChI=1S/C11H14/c1-3-4-7-10(2)11-8-5-6-9-11/h3,5-6,8-9H,1,4,7H2,2H3
InChIKeyRARDBCCACVPOBE-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-hex-5-en-2-ylidenecyclopenta-1,3-diene?
The IUPAC name of 5-hex-5-en-2-ylidenecyclopenta-1,3-diene (CID 12502067) is 5-hex-5-en-2-ylidenecyclopenta-1,3-diene.
What is the SMILES notation for 5-hex-5-en-2-ylidenecyclopenta-1,3-diene?
The canonical SMILES for 5-hex-5-en-2-ylidenecyclopenta-1,3-diene is C=CCCC(C)=C1C=CC=C1.
What is the InChIKey of 5-hex-5-en-2-ylidenecyclopenta-1,3-diene?
The InChIKey is RARDBCCACVPOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14/c1-3-4-7-10(2)11-8-5-6-9-11/h3,5-6,8-9H,1,4,7H2,2H3.
What are the key properties of 5-hex-5-en-2-ylidenecyclopenta-1,3-diene?
5-hex-5-en-2-ylidenecyclopenta-1,3-diene has a molecular weight of 146.23 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hex-5-en-2-ylidenecyclopenta-1,3-diene is sourced from PubChem (CID 12502067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).