5-methylcyclooctene

C9H16 — CID 527710

IUPAC5-methylcyclooctene
SMILESCC1CCC=CCCC1
InChIInChI=1S/C9H16/c1-9-7-5-3-2-4-6-8-9/h2-3,9H,4-8H2,1H3
InChIKeyNDEUHGLZVZJEGK-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.14
Rot. Bonds

About 5-methylcyclooctene

5-methylcyclooctene (PubChem CID 527710) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 5-methylcyclooctene.

Molecular Properties

Compound Name5-methylcyclooctene
PubChem CID527710
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name5-methylcyclooctene
SMILESCC1CCC=CCCC1
InChIInChI=1S/C9H16/c1-9-7-5-3-2-4-6-8-9/h2-3,9H,4-8H2,1H3
InChIKeyNDEUHGLZVZJEGK-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 5-methylcyclooctene?
The IUPAC name of 5-methylcyclooctene (CID 527710) is 5-methylcyclooctene.
What is the SMILES notation for 5-methylcyclooctene?
The canonical SMILES for 5-methylcyclooctene is CC1CCC=CCCC1.
What is the InChIKey of 5-methylcyclooctene?
The InChIKey is NDEUHGLZVZJEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-9-7-5-3-2-4-6-8-9/h2-3,9H,4-8H2,1H3.
What are the key properties of 5-methylcyclooctene?
5-methylcyclooctene 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 5-methylcyclooctene is sourced from PubChem (CID 527710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).