1-hexylcyclopenta-1,3-diene

C11H18 — CID 528168

IUPAC1-hexylcyclopenta-1,3-diene
SMILESCCCCCCC1=CC=CC1
InChIInChI=1S/C11H18/c1-2-3-4-5-8-11-9-6-7-10-11/h6-7,9H,2-5,8,10H2,1H3
InChIKeyWVYLDZGPTDJRJS-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.84
Rot. Bonds5

About 1-hexylcyclopenta-1,3-diene

1-hexylcyclopenta-1,3-diene (PubChem CID 528168) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 1-hexylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1-hexylcyclopenta-1,3-diene
PubChem CID528168
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name1-hexylcyclopenta-1,3-diene
SMILESCCCCCCC1=CC=CC1
InChIInChI=1S/C11H18/c1-2-3-4-5-8-11-9-6-7-10-11/h6-7,9H,2-5,8,10H2,1H3
InChIKeyWVYLDZGPTDJRJS-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1-hexylcyclopenta-1,3-diene?
The IUPAC name of 1-hexylcyclopenta-1,3-diene (CID 528168) is 1-hexylcyclopenta-1,3-diene.
What is the SMILES notation for 1-hexylcyclopenta-1,3-diene?
The canonical SMILES for 1-hexylcyclopenta-1,3-diene is CCCCCCC1=CC=CC1.
What is the InChIKey of 1-hexylcyclopenta-1,3-diene?
The InChIKey is WVYLDZGPTDJRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-2-3-4-5-8-11-9-6-7-10-11/h6-7,9H,2-5,8,10H2,1H3.
What are the key properties of 1-hexylcyclopenta-1,3-diene?
1-hexylcyclopenta-1,3-diene has a molecular weight of 150.26 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexylcyclopenta-1,3-diene is sourced from PubChem (CID 528168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).