oct-7-enylcyclopentane

C13H24 — CID 86044483

IUPACoct-7-enylcyclopentane
SMILESC=CCCCCCCC1CCCC1
InChIInChI=1S/C13H24/c1-2-3-4-5-6-7-10-13-11-8-9-12-13/h2,13H,1,3-12H2
InChIKeyVXXAPQAFRHIOBP-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.70
Rot. Bonds7

About oct-7-enylcyclopentane

oct-7-enylcyclopentane (PubChem CID 86044483) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is oct-7-enylcyclopentane.

Molecular Properties

Compound Nameoct-7-enylcyclopentane
PubChem CID86044483
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Nameoct-7-enylcyclopentane
SMILESC=CCCCCCCC1CCCC1
InChIInChI=1S/C13H24/c1-2-3-4-5-6-7-10-13-11-8-9-12-13/h2,13H,1,3-12H2
InChIKeyVXXAPQAFRHIOBP-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.70
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 oct-7-enylcyclopentane?
The IUPAC name of oct-7-enylcyclopentane (CID 86044483) is oct-7-enylcyclopentane.
What is the SMILES notation for oct-7-enylcyclopentane?
The canonical SMILES for oct-7-enylcyclopentane is C=CCCCCCCC1CCCC1.
What is the InChIKey of oct-7-enylcyclopentane?
The InChIKey is VXXAPQAFRHIOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-2-3-4-5-6-7-10-13-11-8-9-12-13/h2,13H,1,3-12H2.
What are the key properties of oct-7-enylcyclopentane?
oct-7-enylcyclopentane has a molecular weight of 180.33 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for oct-7-enylcyclopentane is sourced from PubChem (CID 86044483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).