5-methylcyclononene

C10H18 — CID 524408

IUPAC5-methylcyclononene
SMILESCC1CCC=CCCCC1
InChIInChI=1S/C10H18/c1-10-8-6-4-2-3-5-7-9-10/h2,4,10H,3,5-9H2,1H3
InChIKeyPWQACENCUBPVGO-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.53
Rot. Bonds

About 5-methylcyclononene

5-methylcyclononene (PubChem CID 524408) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 5-methylcyclononene.

Molecular Properties

Compound Name5-methylcyclononene
PubChem CID524408
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name5-methylcyclononene
SMILESCC1CCC=CCCCC1
InChIInChI=1S/C10H18/c1-10-8-6-4-2-3-5-7-9-10/h2,4,10H,3,5-9H2,1H3
InChIKeyPWQACENCUBPVGO-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.53
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-methylcyclononene?
The IUPAC name of 5-methylcyclononene (CID 524408) is 5-methylcyclononene.
What is the SMILES notation for 5-methylcyclononene?
The canonical SMILES for 5-methylcyclononene is CC1CCC=CCCCC1.
What is the InChIKey of 5-methylcyclononene?
The InChIKey is PWQACENCUBPVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-10-8-6-4-2-3-5-7-9-10/h2,4,10H,3,5-9H2,1H3.
What are the key properties of 5-methylcyclononene?
5-methylcyclononene has a molecular weight of 138.25 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylcyclononene is sourced from PubChem (CID 524408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).