1-tert-butylcyclopentene

C9H16 — CID 13414410

IUPAC1-tert-butylcyclopentene
SMILESCC(C)(C)C1=CCCC1
InChIInChI=1S/C9H16/c1-9(2,3)8-6-4-5-7-8/h6H,4-5,7H2,1-3H3
InChIKeyLZPGKPOLHHXTEB-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.14
Rot. Bonds

About 1-tert-butylcyclopentene

1-tert-butylcyclopentene (PubChem CID 13414410) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 1-tert-butylcyclopentene.

Molecular Properties

Compound Name1-tert-butylcyclopentene
PubChem CID13414410
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name1-tert-butylcyclopentene
SMILESCC(C)(C)C1=CCCC1
InChIInChI=1S/C9H16/c1-9(2,3)8-6-4-5-7-8/h6H,4-5,7H2,1-3H3
InChIKeyLZPGKPOLHHXTEB-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.14
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 1-tert-butylcyclopentene?
The IUPAC name of 1-tert-butylcyclopentene (CID 13414410) is 1-tert-butylcyclopentene.
What is the SMILES notation for 1-tert-butylcyclopentene?
The canonical SMILES for 1-tert-butylcyclopentene is CC(C)(C)C1=CCCC1.
What is the InChIKey of 1-tert-butylcyclopentene?
The InChIKey is LZPGKPOLHHXTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-9(2,3)8-6-4-5-7-8/h6H,4-5,7H2,1-3H3.
What are the key properties of 1-tert-butylcyclopentene?
1-tert-butylcyclopentene has a molecular weight of 124.23 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylcyclopentene is sourced from PubChem (CID 13414410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).