5-(2-methylpent-4-enyl)cyclopenta-1,3-diene

C11H16 — CID 173002606

IUPAC5-(2-methylpent-4-enyl)cyclopenta-1,3-diene
SMILESC=CCC(C)CC1C=CC=C1
InChIInChI=1S/C11H16/c1-3-6-10(2)9-11-7-4-5-8-11/h3-5,7-8,10-11H,1,6,9H2,2H3
InChIKeyQTJYJICVYBQKAB-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.33
Rot. Bonds4

About 5-(2-methylpent-4-enyl)cyclopenta-1,3-diene

5-(2-methylpent-4-enyl)cyclopenta-1,3-diene (PubChem CID 173002606) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 5-(2-methylpent-4-enyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(2-methylpent-4-enyl)cyclopenta-1,3-diene
PubChem CID173002606
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name5-(2-methylpent-4-enyl)cyclopenta-1,3-diene
SMILESC=CCC(C)CC1C=CC=C1
InChIInChI=1S/C11H16/c1-3-6-10(2)9-11-7-4-5-8-11/h3-5,7-8,10-11H,1,6,9H2,2H3
InChIKeyQTJYJICVYBQKAB-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.33
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-(2-methylpent-4-enyl)cyclopenta-1,3-diene?
The IUPAC name of 5-(2-methylpent-4-enyl)cyclopenta-1,3-diene (CID 173002606) is 5-(2-methylpent-4-enyl)cyclopenta-1,3-diene.
What is the SMILES notation for 5-(2-methylpent-4-enyl)cyclopenta-1,3-diene?
The canonical SMILES for 5-(2-methylpent-4-enyl)cyclopenta-1,3-diene is C=CCC(C)CC1C=CC=C1.
What is the InChIKey of 5-(2-methylpent-4-enyl)cyclopenta-1,3-diene?
The InChIKey is QTJYJICVYBQKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-3-6-10(2)9-11-7-4-5-8-11/h3-5,7-8,10-11H,1,6,9H2,2H3.
What are the key properties of 5-(2-methylpent-4-enyl)cyclopenta-1,3-diene?
5-(2-methylpent-4-enyl)cyclopenta-1,3-diene has a molecular weight of 148.25 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpent-4-enyl)cyclopenta-1,3-diene is sourced from PubChem (CID 173002606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).