2,8-dimethylnonane

C11H24 — CID 6428625

IUPAC2,8-dimethylnonane
SMILESCC(C)CCCCCC(C)C
InChIInChI=1S/C11H24/c1-10(2)8-6-5-7-9-11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyFZFRYQHIQUEAAV-UHFFFAOYSA-N
MW156.31 g/mol
LogP4.25
Rot. Bonds6

About 2,8-dimethylnonane

2,8-dimethylnonane (PubChem CID 6428625) has the molecular formula C11H24 and a molecular weight of 156.31 g/mol. Its IUPAC name is 2,8-dimethylnonane.

Molecular Properties

Compound Name2,8-dimethylnonane
PubChem CID6428625
Molecular FormulaC11H24
Molecular Weight156.31 g/mol
Exact Mass156.19
IUPAC Name2,8-dimethylnonane
SMILESCC(C)CCCCCC(C)C
InChIInChI=1S/C11H24/c1-10(2)8-6-5-7-9-11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyFZFRYQHIQUEAAV-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.31
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethylnonane?
The IUPAC name of 2,8-dimethylnonane (CID 6428625) is 2,8-dimethylnonane.
What is the SMILES notation for 2,8-dimethylnonane?
The canonical SMILES for 2,8-dimethylnonane is CC(C)CCCCCC(C)C.
What is the InChIKey of 2,8-dimethylnonane?
The InChIKey is FZFRYQHIQUEAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24/c1-10(2)8-6-5-7-9-11(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 2,8-dimethylnonane?
2,8-dimethylnonane has a molecular weight of 156.31 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethylnonane is sourced from PubChem (CID 6428625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).