cyclooctene

C8H14 — CID 638079

IUPACcyclooctene
SMILESC1=C\CCCCCC/1
InChIInChI=1S/C8H14/c1-2-4-6-8-7-5-3-1/h1-2H,3-8H2/b2-1-
InChIKeyURYYVOIYTNXXBN-UPHRSURJSA-N
MW110.20 g/mol
LogP2.90
Rot. Bonds

About cyclooctene

cyclooctene (PubChem CID 638079) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is cyclooctene.

Molecular Properties

Compound Namecyclooctene
PubChem CID638079
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Namecyclooctene
SMILESC1=C\CCCCCC/1
InChIInChI=1S/C8H14/c1-2-4-6-8-7-5-3-1/h1-2H,3-8H2/b2-1-
InChIKeyURYYVOIYTNXXBN-UPHRSURJSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.90
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 cyclooctene?
The IUPAC name of cyclooctene (CID 638079) is cyclooctene.
What is the SMILES notation for cyclooctene?
The canonical SMILES for cyclooctene is C1=C\CCCCCC/1.
What is the InChIKey of cyclooctene?
The InChIKey is URYYVOIYTNXXBN-UPHRSURJSA-N. The full InChI is InChI=1S/C8H14/c1-2-4-6-8-7-5-3-1/h1-2H,3-8H2/b2-1-.
What are the key properties of cyclooctene?
cyclooctene has a molecular weight of 110.20 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctene is sourced from PubChem (CID 638079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).