2,6,6-trimethylnon-4-ene

C12H24 — CID 54337116

IUPAC2,6,6-trimethylnon-4-ene
SMILESCCCC(C)(C)C=CCC(C)C
InChIInChI=1S/C12H24/c1-6-9-12(4,5)10-7-8-11(2)3/h7,10-11H,6,8-9H2,1-5H3
InChIKeyRBRWMSXQFCHZRQ-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.41
Rot. Bonds5

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

2,6,6-trimethylnon-4-ene (PubChem CID 54337116) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 2,6,6-trimethylnon-4-ene.

Molecular Properties

Compound Name2,6,6-trimethylnon-4-ene
PubChem CID54337116
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name2,6,6-trimethylnon-4-ene
SMILESCCCC(C)(C)C=CCC(C)C
InChIInChI=1S/C12H24/c1-6-9-12(4,5)10-7-8-11(2)3/h7,10-11H,6,8-9H2,1-5H3
InChIKeyRBRWMSXQFCHZRQ-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 2,6,6-trimethylnon-4-ene?
The IUPAC name of 2,6,6-trimethylnon-4-ene (CID 54337116) is 2,6,6-trimethylnon-4-ene.
What is the SMILES notation for 2,6,6-trimethylnon-4-ene?
The canonical SMILES for 2,6,6-trimethylnon-4-ene is CCCC(C)(C)C=CCC(C)C.
What is the InChIKey of 2,6,6-trimethylnon-4-ene?
The InChIKey is RBRWMSXQFCHZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-6-9-12(4,5)10-7-8-11(2)3/h7,10-11H,6,8-9H2,1-5H3.
What are the key properties of 2,6,6-trimethylnon-4-ene?
2,6,6-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 2,6,6-trimethylnon-4-ene is sourced from PubChem (CID 54337116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).