2,4,6-trimethylnon-1-ene

C12H24 — CID 536118

IUPAC2,4,6-trimethylnon-1-ene
SMILESC=C(C)CC(C)CC(C)CCC
InChIInChI=1S/C12H24/c1-6-7-11(4)9-12(5)8-10(2)3/h11-12H,2,6-9H2,1,3-5H3
InChIKeyQFMQAIUZMMQKTB-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.41
Rot. Bonds6

About 2,4,6-trimethylnon-1-ene

2,4,6-trimethylnon-1-ene (PubChem CID 536118) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 2,4,6-trimethylnon-1-ene.

Molecular Properties

Compound Name2,4,6-trimethylnon-1-ene
PubChem CID536118
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name2,4,6-trimethylnon-1-ene
SMILESC=C(C)CC(C)CC(C)CCC
InChIInChI=1S/C12H24/c1-6-7-11(4)9-12(5)8-10(2)3/h11-12H,2,6-9H2,1,3-5H3
InChIKeyQFMQAIUZMMQKTB-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
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 2,4,6-trimethylnon-1-ene?
The IUPAC name of 2,4,6-trimethylnon-1-ene (CID 536118) is 2,4,6-trimethylnon-1-ene.
What is the SMILES notation for 2,4,6-trimethylnon-1-ene?
The canonical SMILES for 2,4,6-trimethylnon-1-ene is C=C(C)CC(C)CC(C)CCC.
What is the InChIKey of 2,4,6-trimethylnon-1-ene?
The InChIKey is QFMQAIUZMMQKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-6-7-11(4)9-12(5)8-10(2)3/h11-12H,2,6-9H2,1,3-5H3.
What are the key properties of 2,4,6-trimethylnon-1-ene?
2,4,6-trimethylnon-1-ene has a molecular weight of 168.32 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethylnon-1-ene is sourced from PubChem (CID 536118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).