4-ethyl-5-methylnona-2,3,5,7-tetraene

C12H18 — CID 173264693

IUPAC4-ethyl-5-methylnona-2,3,5,7-tetraene
SMILESCC=C=C(CC)C(C)=CC=CC
InChIInChI=1S/C12H18/c1-5-8-10-11(4)12(7-3)9-6-2/h5-6,8,10H,7H2,1-4H3
InChIKeyYXDDZPQKBAWJJV-UHFFFAOYSA-N
MW162.28 g/mol
LogP4.02
Rot. Bonds3

About 4-ethyl-5-methylnona-2,3,5,7-tetraene

4-ethyl-5-methylnona-2,3,5,7-tetraene (PubChem CID 173264693) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 4-ethyl-5-methylnona-2,3,5,7-tetraene.

Molecular Properties

Compound Name4-ethyl-5-methylnona-2,3,5,7-tetraene
PubChem CID173264693
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name4-ethyl-5-methylnona-2,3,5,7-tetraene
SMILESCC=C=C(CC)C(C)=CC=CC
InChIInChI=1S/C12H18/c1-5-8-10-11(4)12(7-3)9-6-2/h5-6,8,10H,7H2,1-4H3
InChIKeyYXDDZPQKBAWJJV-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E,6Z)-3,4-dimethylocta-2,4,6-triene
CID 91748402
(2Z,4Z)-5-methyl-6-methylidenedodeca-2,4-diene
CID 143693858
4-ethylhexa-2,3-diene
CID 57110962
(4E,6E,8E,10E,12E,14E,16Z)-2,5,6,9,10,13,14-heptamethyloctadeca-2,4,6,8,10,12,14,16-octaene;sulfane
CID 159683667
ethane;(2E,4E,6E,8Z)-6-ethyl-5-methyldeca-2,4,6,8-tetraen-2-ol
CID 144690491
(2E,4E)-5-ethyl-7-methylocta-2,4-diene
CID 173194163
(2E,4E,6Z)-N,3,4-trimethylocta-2,4,6-trien-1-imine
CID 166983281
4-ethyl-3-fluoroocta-2,4,6-triene
CID 123568888
(2E,4E,6Z,8E)-3,6-dimethyldeca-2,4,6,8-tetraen-4-ol
CID 143088479
(E)-but-2-ene;2-methylbut-1-ene
CID 160732245
but-2-ene;2-methylbut-1-ene
CID 160732246
4-propylhepta-2,3-diene
CID 134994886

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methylnona-2,3,5,7-tetraene?
The IUPAC name of 4-ethyl-5-methylnona-2,3,5,7-tetraene (CID 173264693) is 4-ethyl-5-methylnona-2,3,5,7-tetraene.
What is the SMILES notation for 4-ethyl-5-methylnona-2,3,5,7-tetraene?
The canonical SMILES for 4-ethyl-5-methylnona-2,3,5,7-tetraene is CC=C=C(CC)C(C)=CC=CC.
What is the InChIKey of 4-ethyl-5-methylnona-2,3,5,7-tetraene?
The InChIKey is YXDDZPQKBAWJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-5-8-10-11(4)12(7-3)9-6-2/h5-6,8,10H,7H2,1-4H3.
What are the key properties of 4-ethyl-5-methylnona-2,3,5,7-tetraene?
4-ethyl-5-methylnona-2,3,5,7-tetraene has a molecular weight of 162.28 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methylnona-2,3,5,7-tetraene is sourced from PubChem (CID 173264693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).