5-ethyl-1,2,3,5,8-pentamethylcyclononene

C16H30 — CID 123991968

IUPAC5-ethyl-1,2,3,5,8-pentamethylcyclononene
SMILESCCC1(C)CCC(C)CC(C)=C(C)C(C)C1
InChIInChI=1S/C16H30/c1-7-16(6)9-8-12(2)10-13(3)15(5)14(4)11-16/h12,14H,7-11H2,1-6H3
InChIKeyPPKZYHZKZKNBBV-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.59
Rot. Bonds1

About 5-ethyl-1,2,3,5,8-pentamethylcyclononene

5-ethyl-1,2,3,5,8-pentamethylcyclononene (PubChem CID 123991968) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 5-ethyl-1,2,3,5,8-pentamethylcyclononene.

Molecular Properties

Compound Name5-ethyl-1,2,3,5,8-pentamethylcyclononene
PubChem CID123991968
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name5-ethyl-1,2,3,5,8-pentamethylcyclononene
SMILESCCC1(C)CCC(C)CC(C)=C(C)C(C)C1
InChIInChI=1S/C16H30/c1-7-16(6)9-8-12(2)10-13(3)15(5)14(4)11-16/h12,14H,7-11H2,1-6H3
InChIKeyPPKZYHZKZKNBBV-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.59
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-ethyl-1,2,3,5,8-pentamethylcyclononene?
The IUPAC name of 5-ethyl-1,2,3,5,8-pentamethylcyclononene (CID 123991968) is 5-ethyl-1,2,3,5,8-pentamethylcyclononene.
What is the SMILES notation for 5-ethyl-1,2,3,5,8-pentamethylcyclononene?
The canonical SMILES for 5-ethyl-1,2,3,5,8-pentamethylcyclononene is CCC1(C)CCC(C)CC(C)=C(C)C(C)C1.
What is the InChIKey of 5-ethyl-1,2,3,5,8-pentamethylcyclononene?
The InChIKey is PPKZYHZKZKNBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-7-16(6)9-8-12(2)10-13(3)15(5)14(4)11-16/h12,14H,7-11H2,1-6H3.
What are the key properties of 5-ethyl-1,2,3,5,8-pentamethylcyclononene?
5-ethyl-1,2,3,5,8-pentamethylcyclononene has a molecular weight of 222.42 g/mol, XLogP of 5.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,2,3,5,8-pentamethylcyclononene is sourced from PubChem (CID 123991968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).