4-ethyl-2,6-dimethylnon-1-ene

C13H26 — CID 90949298

IUPAC4-ethyl-2,6-dimethylnon-1-ene
SMILESC=C(C)CC(CC)CC(C)CCC
InChIInChI=1S/C13H26/c1-6-8-12(5)10-13(7-2)9-11(3)4/h12-13H,3,6-10H2,1-2,4-5H3
InChIKeyAPOKXPCMFGOHIF-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.81
Rot. Bonds7

About 4-ethyl-2,6-dimethylnon-1-ene

4-ethyl-2,6-dimethylnon-1-ene (PubChem CID 90949298) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 4-ethyl-2,6-dimethylnon-1-ene.

Molecular Properties

Compound Name4-ethyl-2,6-dimethylnon-1-ene
PubChem CID90949298
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name4-ethyl-2,6-dimethylnon-1-ene
SMILESC=C(C)CC(CC)CC(C)CCC
InChIInChI=1S/C13H26/c1-6-8-12(5)10-13(7-2)9-11(3)4/h12-13H,3,6-10H2,1-2,4-5H3
InChIKeyAPOKXPCMFGOHIF-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.81
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

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5-ethylidene-3,7-dimethyldecane
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3,5,7,9-tetramethyldodecane
CID 91047062
2-[(2R,4R)-2,4-dimethylheptyl]propane-1,3-diol
CID 10655741
ethane;3-methylhexane;N-methylprop-1-en-2-amine
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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,6-dimethylnon-1-ene?
The IUPAC name of 4-ethyl-2,6-dimethylnon-1-ene (CID 90949298) is 4-ethyl-2,6-dimethylnon-1-ene.
What is the SMILES notation for 4-ethyl-2,6-dimethylnon-1-ene?
The canonical SMILES for 4-ethyl-2,6-dimethylnon-1-ene is C=C(C)CC(CC)CC(C)CCC.
What is the InChIKey of 4-ethyl-2,6-dimethylnon-1-ene?
The InChIKey is APOKXPCMFGOHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-6-8-12(5)10-13(7-2)9-11(3)4/h12-13H,3,6-10H2,1-2,4-5H3.
What are the key properties of 4-ethyl-2,6-dimethylnon-1-ene?
4-ethyl-2,6-dimethylnon-1-ene has a molecular weight of 182.35 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,6-dimethylnon-1-ene is sourced from PubChem (CID 90949298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).