4-ethyl-4-methylnon-2-ene

C12H24 — CID 123220710

IUPAC4-ethyl-4-methylnon-2-ene
SMILESCC=CC(C)(CC)CCCCC
InChIInChI=1S/C12H24/c1-5-8-9-11-12(4,7-3)10-6-2/h6,10H,5,7-9,11H2,1-4H3
InChIKeyQBPZOZDOFRZAAC-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.56
Rot. Bonds6

About 4-ethyl-4-methylnon-2-ene

4-ethyl-4-methylnon-2-ene (PubChem CID 123220710) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 4-ethyl-4-methylnon-2-ene.

Molecular Properties

Compound Name4-ethyl-4-methylnon-2-ene
PubChem CID123220710
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name4-ethyl-4-methylnon-2-ene
SMILESCC=CC(C)(CC)CCCCC
InChIInChI=1S/C12H24/c1-5-8-9-11-12(4,7-3)10-6-2/h6,10H,5,7-9,11H2,1-4H3
InChIKeyQBPZOZDOFRZAAC-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
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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Related Compounds

(E)-4-ethyl-4-methyldec-2-ene
CID 134979777
4,4-dimethylnon-2-ene
CID 54495291
3,9-diethyl-N,N,9-trimethyldodec-10-en-3-amine
CID 167154849
(Z)-4-ethyl-4-methyldodec-2-en-1-amine
CID 126727185
4-methyl-4-propylhept-2-ene
CID 123389519
3,3-dimethylpentadecane
CID 86034940
3,3-dimethyloctane;ethane
CID 145013248
3,3-dimethyldodecane
CID 15930786
3-(bromomethyl)-3-methyldodec-1-ene
CID 102642280
(E)-4-ethyloct-2-en-4-ol
CID 24978181
[(E,4S)-4-methylnon-2-en-4-yl]benzene
CID 101254578
3-ethyl-3-methyltetradecane
CID 54159558

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methylnon-2-ene?
The IUPAC name of 4-ethyl-4-methylnon-2-ene (CID 123220710) is 4-ethyl-4-methylnon-2-ene.
What is the SMILES notation for 4-ethyl-4-methylnon-2-ene?
The canonical SMILES for 4-ethyl-4-methylnon-2-ene is CC=CC(C)(CC)CCCCC.
What is the InChIKey of 4-ethyl-4-methylnon-2-ene?
The InChIKey is QBPZOZDOFRZAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-5-8-9-11-12(4,7-3)10-6-2/h6,10H,5,7-9,11H2,1-4H3.
What are the key properties of 4-ethyl-4-methylnon-2-ene?
4-ethyl-4-methylnon-2-ene has a molecular weight of 168.32 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methylnon-2-ene is sourced from PubChem (CID 123220710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).