2,3,4-trimethylnon-2-ene

C12H24 — CID 18915868

IUPAC2,3,4-trimethylnon-2-ene
SMILESCCCCCC(C)C(C)=C(C)C
InChIInChI=1S/C12H24/c1-6-7-8-9-11(4)12(5)10(2)3/h11H,6-9H2,1-5H3
InChIKeyUTFVURBIZMHXAE-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.56
Rot. Bonds5

About 2,3,4-trimethylnon-2-ene

2,3,4-trimethylnon-2-ene (PubChem CID 18915868) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 2,3,4-trimethylnon-2-ene.

Molecular Properties

Compound Name2,3,4-trimethylnon-2-ene
PubChem CID18915868
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name2,3,4-trimethylnon-2-ene
SMILESCCCCCC(C)C(C)=C(C)C
InChIInChI=1S/C12H24/c1-6-7-8-9-11(4)12(5)10(2)3/h11H,6-9H2,1-5H3
InChIKeyUTFVURBIZMHXAE-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethylnon-2-ene?
The IUPAC name of 2,3,4-trimethylnon-2-ene (CID 18915868) is 2,3,4-trimethylnon-2-ene.
What is the SMILES notation for 2,3,4-trimethylnon-2-ene?
The canonical SMILES for 2,3,4-trimethylnon-2-ene is CCCCCC(C)C(C)=C(C)C.
What is the InChIKey of 2,3,4-trimethylnon-2-ene?
The InChIKey is UTFVURBIZMHXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-6-7-8-9-11(4)12(5)10(2)3/h11H,6-9H2,1-5H3.
What are the key properties of 2,3,4-trimethylnon-2-ene?
2,3,4-trimethylnon-2-ene has a molecular weight of 168.32 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethylnon-2-ene is sourced from PubChem (CID 18915868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).