6-ethyl-2,6,7-trimethylnon-2-ene

C14H28 — CID 123408225

IUPAC6-ethyl-2,6,7-trimethylnon-2-ene
SMILESCCC(C)C(C)(CC)CCC=C(C)C
InChIInChI=1S/C14H28/c1-7-13(5)14(6,8-2)11-9-10-12(3)4/h10,13H,7-9,11H2,1-6H3
InChIKeyAALZDMXKLCSULJ-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.20
Rot. Bonds6

About 6-ethyl-2,6,7-trimethylnon-2-ene

6-ethyl-2,6,7-trimethylnon-2-ene (PubChem CID 123408225) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 6-ethyl-2,6,7-trimethylnon-2-ene.

Molecular Properties

Compound Name6-ethyl-2,6,7-trimethylnon-2-ene
PubChem CID123408225
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name6-ethyl-2,6,7-trimethylnon-2-ene
SMILESCCC(C)C(C)(CC)CCC=C(C)C
InChIInChI=1S/C14H28/c1-7-13(5)14(6,8-2)11-9-10-12(3)4/h10,13H,7-9,11H2,1-6H3
InChIKeyAALZDMXKLCSULJ-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.20
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

3-ethyl-3,4-dimethylhexan-1-ol
CID 139931255
(2R)-3,3,7-trimethyloct-6-en-2-ol
CID 89306625
7-methoxy-2,6,6-trimethyloct-2-ene
CID 89306696
1-ethoxy-3-ethyl-3,4-dimethylhexane
CID 90857890
2-ethyl-2,3,7-trimethyloct-6-enal
CID 54472042
2-ethyl-2,3-dimethylpentane-1-thiol
CID 123266767
2,5-dimethylhept-2-ene;ethane
CID 144650208
2-methylbutane;bis(2-methylbut-2-ene)
CID 162288148
6-ethyl-3,5,6-trimethyloct-2-ene
CID 91251673
(4R)-4,8-dimethylnon-7-en-4-ol
CID 90181485
2,6,6-trimethyl-7-nitrosooct-2-ene
CID 123195105
2-butan-2-yl-2,5-dimethylhex-4-enal
CID 134976024

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,6,7-trimethylnon-2-ene?
The IUPAC name of 6-ethyl-2,6,7-trimethylnon-2-ene (CID 123408225) is 6-ethyl-2,6,7-trimethylnon-2-ene.
What is the SMILES notation for 6-ethyl-2,6,7-trimethylnon-2-ene?
The canonical SMILES for 6-ethyl-2,6,7-trimethylnon-2-ene is CCC(C)C(C)(CC)CCC=C(C)C.
What is the InChIKey of 6-ethyl-2,6,7-trimethylnon-2-ene?
The InChIKey is AALZDMXKLCSULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-7-13(5)14(6,8-2)11-9-10-12(3)4/h10,13H,7-9,11H2,1-6H3.
What are the key properties of 6-ethyl-2,6,7-trimethylnon-2-ene?
6-ethyl-2,6,7-trimethylnon-2-ene has a molecular weight of 196.38 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,6,7-trimethylnon-2-ene is sourced from PubChem (CID 123408225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).