4-ethyl-8-methylnona-1,2,4-triene

C12H20 — CID 123826807

IUPAC4-ethyl-8-methylnona-1,2,4-triene
SMILESC=C=CC(=CCCC(C)C)CC
InChIInChI=1S/C12H20/c1-5-8-12(6-2)10-7-9-11(3)4/h8,10-11H,1,6-7,9H2,2-4H3
InChIKeyIJJOXHMNJGWVFF-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.10
Rot. Bonds5

About 4-ethyl-8-methylnona-1,2,4-triene

4-ethyl-8-methylnona-1,2,4-triene (PubChem CID 123826807) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 4-ethyl-8-methylnona-1,2,4-triene.

Molecular Properties

Compound Name4-ethyl-8-methylnona-1,2,4-triene
PubChem CID123826807
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name4-ethyl-8-methylnona-1,2,4-triene
SMILESC=C=CC(=CCCC(C)C)CC
InChIInChI=1S/C12H20/c1-5-8-12(6-2)10-7-9-11(3)4/h8,10-11H,1,6-7,9H2,2-4H3
InChIKeyIJJOXHMNJGWVFF-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.10
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

4-(2-methylpropyl)nona-1,2,4-triene
CID 123326067
2,11-dimethyl-5-propa-1,2-dienyldodec-4-ene
CID 91545599
8-methyl-4-methylidenenona-1,2-diene
CID 174249080
6-ethyl-2-methyldec-5-ene
CID 123276587
(Z)-2,7-dimethyl-3-methylsulfanyloct-3-ene
CID 88884463
7-methylocta-1,2-diene
CID 90830179
2-methylpropyl buta-2,3-dienoate
CID 86045289
3,7,10-trimethylundec-3-ene
CID 91082560
(Z)-1-chloro-2,6-dimethylhept-2-ene
CID 59072785
(Z)-7-fluoro-11-methyldodec-7-en-6-ol
CID 134863102
6-ethyl-10-methylundeca-1,5-diene
CID 58970902
(E)-6-methyl-2-prop-1-en-2-ylhept-2-enal
CID 10820962

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-8-methylnona-1,2,4-triene?
The IUPAC name of 4-ethyl-8-methylnona-1,2,4-triene (CID 123826807) is 4-ethyl-8-methylnona-1,2,4-triene.
What is the SMILES notation for 4-ethyl-8-methylnona-1,2,4-triene?
The canonical SMILES for 4-ethyl-8-methylnona-1,2,4-triene is C=C=CC(=CCCC(C)C)CC.
What is the InChIKey of 4-ethyl-8-methylnona-1,2,4-triene?
The InChIKey is IJJOXHMNJGWVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-5-8-12(6-2)10-7-9-11(3)4/h8,10-11H,1,6-7,9H2,2-4H3.
What are the key properties of 4-ethyl-8-methylnona-1,2,4-triene?
4-ethyl-8-methylnona-1,2,4-triene has a molecular weight of 164.29 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-8-methylnona-1,2,4-triene is sourced from PubChem (CID 123826807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).