4,8-dimethylnona-1,7-diene

C11H20 — CID 534956

IUPAC4,8-dimethylnona-1,7-diene
SMILESC=CCC(C)CCC=C(C)C
InChIInChI=1S/C11H20/c1-5-7-11(4)9-6-8-10(2)3/h5,8,11H,1,6-7,9H2,2-4H3
InChIKeyWJBLCSOLILMHEZ-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.94
Rot. Bonds5

About 4,8-dimethylnona-1,7-diene

4,8-dimethylnona-1,7-diene (PubChem CID 534956) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 4,8-dimethylnona-1,7-diene.

Molecular Properties

Compound Name4,8-dimethylnona-1,7-diene
PubChem CID534956
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name4,8-dimethylnona-1,7-diene
SMILESC=CCC(C)CCC=C(C)C
InChIInChI=1S/C11H20/c1-5-7-11(4)9-6-8-10(2)3/h5,8,11H,1,6-7,9H2,2-4H3
InChIKeyWJBLCSOLILMHEZ-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.94
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-1,7-diene?
The IUPAC name of 4,8-dimethylnona-1,7-diene (CID 534956) is 4,8-dimethylnona-1,7-diene.
What is the SMILES notation for 4,8-dimethylnona-1,7-diene?
The canonical SMILES for 4,8-dimethylnona-1,7-diene is C=CCC(C)CCC=C(C)C.
What is the InChIKey of 4,8-dimethylnona-1,7-diene?
The InChIKey is WJBLCSOLILMHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-5-7-11(4)9-6-8-10(2)3/h5,8,11H,1,6-7,9H2,2-4H3.
What are the key properties of 4,8-dimethylnona-1,7-diene?
4,8-dimethylnona-1,7-diene has a molecular weight of 152.28 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethylnona-1,7-diene is sourced from PubChem (CID 534956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).