1-decylcyclopentene

C15H28 — CID 18757652

IUPAC1-decylcyclopentene
SMILESCCCCCCCCCCC1=CCCC1
InChIInChI=1S/C15H28/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-15/h13H,2-12,14H2,1H3
InChIKeyWZEXNAZKMMYZEZ-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.63
Rot. Bonds9

About 1-decylcyclopentene

1-decylcyclopentene (PubChem CID 18757652) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 1-decylcyclopentene.

Molecular Properties

Compound Name1-decylcyclopentene
PubChem CID18757652
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name1-decylcyclopentene
SMILESCCCCCCCCCCC1=CCCC1
InChIInChI=1S/C15H28/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-15/h13H,2-12,14H2,1H3
InChIKeyWZEXNAZKMMYZEZ-UHFFFAOYSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-decylcyclopentene?
The IUPAC name of 1-decylcyclopentene (CID 18757652) is 1-decylcyclopentene.
What is the SMILES notation for 1-decylcyclopentene?
The canonical SMILES for 1-decylcyclopentene is CCCCCCCCCCC1=CCCC1.
What is the InChIKey of 1-decylcyclopentene?
The InChIKey is WZEXNAZKMMYZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-15/h13H,2-12,14H2,1H3.
What are the key properties of 1-decylcyclopentene?
1-decylcyclopentene has a molecular weight of 208.39 g/mol, XLogP of 5.63, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decylcyclopentene is sourced from PubChem (CID 18757652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).