2,5,8-trimethylnon-4-ene

C12H24 — CID 57190910

IUPAC2,5,8-trimethylnon-4-ene
SMILESCC(=CCC(C)C)CCC(C)C
InChIInChI=1S/C12H24/c1-10(2)6-8-12(5)9-7-11(3)4/h8,10-11H,6-7,9H2,1-5H3
InChIKeySGDUNMBKIAEYII-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.41
Rot. Bonds5

About 2,5,8-trimethylnon-4-ene

2,5,8-trimethylnon-4-ene (PubChem CID 57190910) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 2,5,8-trimethylnon-4-ene.

Molecular Properties

Compound Name2,5,8-trimethylnon-4-ene
PubChem CID57190910
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name2,5,8-trimethylnon-4-ene
SMILESCC(=CCC(C)C)CCC(C)C
InChIInChI=1S/C12H24/c1-10(2)6-8-12(5)9-7-11(3)4/h8,10-11H,6-7,9H2,1-5H3
InChIKeySGDUNMBKIAEYII-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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Related Compounds

1-Methyl-4-Prop-1-En-2-Ylcyclohexene
CID 22311
(+)-Limonene
CID 440917
Limonene, (-)-
CID 439250
Gamma-Terpinene
CID 7461
Alpha-Terpinene
CID 7462
Beta-Bisabolene
CID 10104370
Dihydromyrcene
CID 17090
Cyclohexene, 4-methyl-1-(1-methylethyl)-
CID 10369
alpha-Bisabolene
CID 86597
Dihydromyrcene, (+)-
CID 10887985
Isoterpinolene
CID 102443
p-Menth-1-ene
CID 21671

Frequently Asked Questions

What is the IUPAC name of 2,5,8-trimethylnon-4-ene?
The IUPAC name of 2,5,8-trimethylnon-4-ene (CID 57190910) is 2,5,8-trimethylnon-4-ene.
What is the SMILES notation for 2,5,8-trimethylnon-4-ene?
The canonical SMILES for 2,5,8-trimethylnon-4-ene is CC(=CCC(C)C)CCC(C)C.
What is the InChIKey of 2,5,8-trimethylnon-4-ene?
The InChIKey is SGDUNMBKIAEYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-10(2)6-8-12(5)9-7-11(3)4/h8,10-11H,6-7,9H2,1-5H3.
What are the key properties of 2,5,8-trimethylnon-4-ene?
2,5,8-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 2,5,8-trimethylnon-4-ene is sourced from PubChem (CID 57190910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).