4-ethyl-5-methylnon-4-ene

C12H24 — CID 123787194

IUPAC4-ethyl-5-methylnon-4-ene
SMILESCCCCC(C)=C(CC)CCC
InChIInChI=1S/C12H24/c1-5-8-10-11(4)12(7-3)9-6-2/h5-10H2,1-4H3
InChIKeyUBPDEOPPHYVRRY-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.70
Rot. Bonds6

About 4-ethyl-5-methylnon-4-ene

4-ethyl-5-methylnon-4-ene (PubChem CID 123787194) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 4-ethyl-5-methylnon-4-ene.

Molecular Properties

Compound Name4-ethyl-5-methylnon-4-ene
PubChem CID123787194
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name4-ethyl-5-methylnon-4-ene
SMILESCCCCC(C)=C(CC)CCC
InChIInChI=1S/C12H24/c1-5-8-10-11(4)12(7-3)9-6-2/h5-10H2,1-4H3
InChIKeyUBPDEOPPHYVRRY-UHFFFAOYSA-N
XLogP4.70
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 ≤ 54.70
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 4-ethyl-5-methylnon-4-ene?
The IUPAC name of 4-ethyl-5-methylnon-4-ene (CID 123787194) is 4-ethyl-5-methylnon-4-ene.
What is the SMILES notation for 4-ethyl-5-methylnon-4-ene?
The canonical SMILES for 4-ethyl-5-methylnon-4-ene is CCCCC(C)=C(CC)CCC.
What is the InChIKey of 4-ethyl-5-methylnon-4-ene?
The InChIKey is UBPDEOPPHYVRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-5-8-10-11(4)12(7-3)9-6-2/h5-10H2,1-4H3.
What are the key properties of 4-ethyl-5-methylnon-4-ene?
4-ethyl-5-methylnon-4-ene has a molecular weight of 168.32 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methylnon-4-ene is sourced from PubChem (CID 123787194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).