6,6,8-trimethylnon-4-ene

C12H24 — CID 54407641

IUPAC6,6,8-trimethylnon-4-ene
SMILESCCCC=CC(C)(C)CC(C)C
InChIInChI=1S/C12H24/c1-6-7-8-9-12(4,5)10-11(2)3/h8-9,11H,6-7,10H2,1-5H3
InChIKeyXPSFNGZOEFRFDV-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.41
Rot. Bonds5

About 6,6,8-trimethylnon-4-ene

6,6,8-trimethylnon-4-ene (PubChem CID 54407641) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 6,6,8-trimethylnon-4-ene.

Molecular Properties

Compound Name6,6,8-trimethylnon-4-ene
PubChem CID54407641
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name6,6,8-trimethylnon-4-ene
SMILESCCCC=CC(C)(C)CC(C)C
InChIInChI=1S/C12H24/c1-6-7-8-9-12(4,5)10-11(2)3/h8-9,11H,6-7,10H2,1-5H3
InChIKeyXPSFNGZOEFRFDV-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.41
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 6,6,8-trimethylnon-4-ene?
The IUPAC name of 6,6,8-trimethylnon-4-ene (CID 54407641) is 6,6,8-trimethylnon-4-ene.
What is the SMILES notation for 6,6,8-trimethylnon-4-ene?
The canonical SMILES for 6,6,8-trimethylnon-4-ene is CCCC=CC(C)(C)CC(C)C.
What is the InChIKey of 6,6,8-trimethylnon-4-ene?
The InChIKey is XPSFNGZOEFRFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-6-7-8-9-12(4,5)10-11(2)3/h8-9,11H,6-7,10H2,1-5H3.
What are the key properties of 6,6,8-trimethylnon-4-ene?
6,6,8-trimethylnon-4-ene has a molecular weight of 168.32 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,8-trimethylnon-4-ene is sourced from PubChem (CID 54407641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).