4-butyl-1,2-ditert-butylcyclopentene

C17H32 — CID 20872136

IUPAC4-butyl-1,2-ditert-butylcyclopentene
SMILESCCCCC1CC(C(C)(C)C)=C(C(C)(C)C)C1
InChIInChI=1S/C17H32/c1-8-9-10-13-11-14(16(2,3)4)15(12-13)17(5,6)7/h13H,8-12H2,1-7H3
InChIKeySSVFLAASYJIVPZ-UHFFFAOYSA-N
MW236.44 g/mol
LogP5.98
Rot. Bonds3

About 4-butyl-1,2-ditert-butylcyclopentene

4-butyl-1,2-ditert-butylcyclopentene (PubChem CID 20872136) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 4-butyl-1,2-ditert-butylcyclopentene.

Molecular Properties

Compound Name4-butyl-1,2-ditert-butylcyclopentene
PubChem CID20872136
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name4-butyl-1,2-ditert-butylcyclopentene
SMILESCCCCC1CC(C(C)(C)C)=C(C(C)(C)C)C1
InChIInChI=1S/C17H32/c1-8-9-10-13-11-14(16(2,3)4)15(12-13)17(5,6)7/h13H,8-12H2,1-7H3
InChIKeySSVFLAASYJIVPZ-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 55.98
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 4-butyl-1,2-ditert-butylcyclopentene?
The IUPAC name of 4-butyl-1,2-ditert-butylcyclopentene (CID 20872136) is 4-butyl-1,2-ditert-butylcyclopentene.
What is the SMILES notation for 4-butyl-1,2-ditert-butylcyclopentene?
The canonical SMILES for 4-butyl-1,2-ditert-butylcyclopentene is CCCCC1CC(C(C)(C)C)=C(C(C)(C)C)C1.
What is the InChIKey of 4-butyl-1,2-ditert-butylcyclopentene?
The InChIKey is SSVFLAASYJIVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-8-9-10-13-11-14(16(2,3)4)15(12-13)17(5,6)7/h13H,8-12H2,1-7H3.
What are the key properties of 4-butyl-1,2-ditert-butylcyclopentene?
4-butyl-1,2-ditert-butylcyclopentene has a molecular weight of 236.44 g/mol, XLogP of 5.98, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1,2-ditert-butylcyclopentene is sourced from PubChem (CID 20872136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).