6-ethyl-8-methyl-3-propan-2-ylcyclonona-1,3,6-triene

C15H24 — CID 91572981

IUPAC6-ethyl-8-methyl-3-propan-2-ylcyclonona-1,3,6-triene
SMILESCCC1=CC(C)CC=CC(C(C)C)=CC1
InChIInChI=1S/C15H24/c1-5-14-9-10-15(12(2)3)8-6-7-13(4)11-14/h6,8,10-13H,5,7,9H2,1-4H3
InChIKeyNZUUUYJTYVSEEY-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.89
Rot. Bonds2

About 6-ethyl-8-methyl-3-propan-2-ylcyclonona-1,3,6-triene

6-ethyl-8-methyl-3-propan-2-ylcyclonona-1,3,6-triene (PubChem CID 91572981) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 6-ethyl-8-methyl-3-propan-2-ylcyclonona-1,3,6-triene.

Molecular Properties

Compound Name6-ethyl-8-methyl-3-propan-2-ylcyclonona-1,3,6-triene
PubChem CID91572981
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name6-ethyl-8-methyl-3-propan-2-ylcyclonona-1,3,6-triene
SMILESCCC1=CC(C)CC=CC(C(C)C)=CC1
InChIInChI=1S/C15H24/c1-5-14-9-10-15(12(2)3)8-6-7-13(4)11-14/h6,8,10-13H,5,7,9H2,1-4H3
InChIKeyNZUUUYJTYVSEEY-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.89
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 6-ethyl-8-methyl-3-propan-2-ylcyclonona-1,3,6-triene?
The IUPAC name of 6-ethyl-8-methyl-3-propan-2-ylcyclonona-1,3,6-triene (CID 91572981) is 6-ethyl-8-methyl-3-propan-2-ylcyclonona-1,3,6-triene.
What is the SMILES notation for 6-ethyl-8-methyl-3-propan-2-ylcyclonona-1,3,6-triene?
The canonical SMILES for 6-ethyl-8-methyl-3-propan-2-ylcyclonona-1,3,6-triene is CCC1=CC(C)CC=CC(C(C)C)=CC1.
What is the InChIKey of 6-ethyl-8-methyl-3-propan-2-ylcyclonona-1,3,6-triene?
The InChIKey is NZUUUYJTYVSEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-5-14-9-10-15(12(2)3)8-6-7-13(4)11-14/h6,8,10-13H,5,7,9H2,1-4H3.
What are the key properties of 6-ethyl-8-methyl-3-propan-2-ylcyclonona-1,3,6-triene?
6-ethyl-8-methyl-3-propan-2-ylcyclonona-1,3,6-triene has a molecular weight of 204.36 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-8-methyl-3-propan-2-ylcyclonona-1,3,6-triene is sourced from PubChem (CID 91572981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).