4-ethenyl-4-propan-2-ylcyclopentene

C10H16 — CID 23385052

IUPAC4-ethenyl-4-propan-2-ylcyclopentene
SMILESC=CC1(C(C)C)CC=CC1
InChIInChI=1S/C10H16/c1-4-10(9(2)3)7-5-6-8-10/h4-6,9H,1,7-8H2,2-3H3
InChIKeyDHMXTRCANGXYBS-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.16
Rot. Bonds2

About 4-ethenyl-4-propan-2-ylcyclopentene

4-ethenyl-4-propan-2-ylcyclopentene (PubChem CID 23385052) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 4-ethenyl-4-propan-2-ylcyclopentene.

Molecular Properties

Compound Name4-ethenyl-4-propan-2-ylcyclopentene
PubChem CID23385052
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name4-ethenyl-4-propan-2-ylcyclopentene
SMILESC=CC1(C(C)C)CC=CC1
InChIInChI=1S/C10H16/c1-4-10(9(2)3)7-5-6-8-10/h4-6,9H,1,7-8H2,2-3H3
InChIKeyDHMXTRCANGXYBS-UHFFFAOYSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.16
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-ethenyl-4-propan-2-ylcyclopentene?
The IUPAC name of 4-ethenyl-4-propan-2-ylcyclopentene (CID 23385052) is 4-ethenyl-4-propan-2-ylcyclopentene.
What is the SMILES notation for 4-ethenyl-4-propan-2-ylcyclopentene?
The canonical SMILES for 4-ethenyl-4-propan-2-ylcyclopentene is C=CC1(C(C)C)CC=CC1.
What is the InChIKey of 4-ethenyl-4-propan-2-ylcyclopentene?
The InChIKey is DHMXTRCANGXYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-4-10(9(2)3)7-5-6-8-10/h4-6,9H,1,7-8H2,2-3H3.
What are the key properties of 4-ethenyl-4-propan-2-ylcyclopentene?
4-ethenyl-4-propan-2-ylcyclopentene has a molecular weight of 136.24 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-4-propan-2-ylcyclopentene is sourced from PubChem (CID 23385052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).