4,8-dimethylnona-2,6-diene

C11H20 — CID 54128177

IUPAC4,8-dimethylnona-2,6-diene
SMILESCC=CC(C)CC=CC(C)C
InChIInChI=1S/C11H20/c1-5-7-11(4)9-6-8-10(2)3/h5-8,10-11H,9H2,1-4H3
InChIKeyIDLHJMIIENAMFP-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.80
Rot. Bonds4

About 4,8-dimethylnona-2,6-diene

4,8-dimethylnona-2,6-diene (PubChem CID 54128177) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 4,8-dimethylnona-2,6-diene.

Molecular Properties

Compound Name4,8-dimethylnona-2,6-diene
PubChem CID54128177
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name4,8-dimethylnona-2,6-diene
SMILESCC=CC(C)CC=CC(C)C
InChIInChI=1S/C11H20/c1-5-7-11(4)9-6-8-10(2)3/h5-8,10-11H,9H2,1-4H3
InChIKeyIDLHJMIIENAMFP-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.80
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 4,8-dimethylnona-2,6-diene?
The IUPAC name of 4,8-dimethylnona-2,6-diene (CID 54128177) is 4,8-dimethylnona-2,6-diene.
What is the SMILES notation for 4,8-dimethylnona-2,6-diene?
The canonical SMILES for 4,8-dimethylnona-2,6-diene is CC=CC(C)CC=CC(C)C.
What is the InChIKey of 4,8-dimethylnona-2,6-diene?
The InChIKey is IDLHJMIIENAMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-5-7-11(4)9-6-8-10(2)3/h5-8,10-11H,9H2,1-4H3.
What are the key properties of 4,8-dimethylnona-2,6-diene?
4,8-dimethylnona-2,6-diene has a molecular weight of 152.28 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethylnona-2,6-diene is sourced from PubChem (CID 54128177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).