2-butyl-5-cyclobutylidenecyclopenta-1,3-diene

C13H18 — CID 151775012

IUPAC2-butyl-5-cyclobutylidenecyclopenta-1,3-diene
SMILESCCCCC1=CC(=C2CCC2)C=C1
InChIInChI=1S/C13H18/c1-2-3-5-11-8-9-13(10-11)12-6-4-7-12/h8-10H,2-7H2,1H3
InChIKeyRTKBDYNPIUASJU-UHFFFAOYSA-N
MW174.29 g/mol
LogP4.15
Rot. Bonds3

About 2-butyl-5-cyclobutylidenecyclopenta-1,3-diene

2-butyl-5-cyclobutylidenecyclopenta-1,3-diene (PubChem CID 151775012) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 2-butyl-5-cyclobutylidenecyclopenta-1,3-diene.

Molecular Properties

Compound Name2-butyl-5-cyclobutylidenecyclopenta-1,3-diene
PubChem CID151775012
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name2-butyl-5-cyclobutylidenecyclopenta-1,3-diene
SMILESCCCCC1=CC(=C2CCC2)C=C1
InChIInChI=1S/C13H18/c1-2-3-5-11-8-9-13(10-11)12-6-4-7-12/h8-10H,2-7H2,1H3
InChIKeyRTKBDYNPIUASJU-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-cyclobutylidenecyclopenta-1,3-diene?
The IUPAC name of 2-butyl-5-cyclobutylidenecyclopenta-1,3-diene (CID 151775012) is 2-butyl-5-cyclobutylidenecyclopenta-1,3-diene.
What is the SMILES notation for 2-butyl-5-cyclobutylidenecyclopenta-1,3-diene?
The canonical SMILES for 2-butyl-5-cyclobutylidenecyclopenta-1,3-diene is CCCCC1=CC(=C2CCC2)C=C1.
What is the InChIKey of 2-butyl-5-cyclobutylidenecyclopenta-1,3-diene?
The InChIKey is RTKBDYNPIUASJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-2-3-5-11-8-9-13(10-11)12-6-4-7-12/h8-10H,2-7H2,1H3.
What are the key properties of 2-butyl-5-cyclobutylidenecyclopenta-1,3-diene?
2-butyl-5-cyclobutylidenecyclopenta-1,3-diene has a molecular weight of 174.29 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-cyclobutylidenecyclopenta-1,3-diene is sourced from PubChem (CID 151775012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).