2,2,4,6,6,8,8-heptamethylnon-4-ene

C16H32 — CID 57218431

IUPAC2,2,4,6,6,8,8-heptamethylnon-4-ene
SMILESCC(=CC(C)(C)CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C16H32/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h11H,10,12H2,1-9H3
InChIKeyJBQQZHSBRMBWRB-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.83
Rot. Bonds3

About 2,2,4,6,6,8,8-heptamethylnon-4-ene

2,2,4,6,6,8,8-heptamethylnon-4-ene (PubChem CID 57218431) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 2,2,4,6,6,8,8-heptamethylnon-4-ene.

Molecular Properties

Compound Name2,2,4,6,6,8,8-heptamethylnon-4-ene
PubChem CID57218431
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name2,2,4,6,6,8,8-heptamethylnon-4-ene
SMILESCC(=CC(C)(C)CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C16H32/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h11H,10,12H2,1-9H3
InChIKeyJBQQZHSBRMBWRB-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.83
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 2,2,4,6,6,8,8-heptamethylnon-4-ene?
The IUPAC name of 2,2,4,6,6,8,8-heptamethylnon-4-ene (CID 57218431) is 2,2,4,6,6,8,8-heptamethylnon-4-ene.
What is the SMILES notation for 2,2,4,6,6,8,8-heptamethylnon-4-ene?
The canonical SMILES for 2,2,4,6,6,8,8-heptamethylnon-4-ene is CC(=CC(C)(C)CC(C)(C)C)CC(C)(C)C.
What is the InChIKey of 2,2,4,6,6,8,8-heptamethylnon-4-ene?
The InChIKey is JBQQZHSBRMBWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h11H,10,12H2,1-9H3.
What are the key properties of 2,2,4,6,6,8,8-heptamethylnon-4-ene?
2,2,4,6,6,8,8-heptamethylnon-4-ene has a molecular weight of 224.43 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,6,6,8,8-heptamethylnon-4-ene is sourced from PubChem (CID 57218431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).