(4E)-4-ethyl-2,5,7-trimethylocta-2,4,6-triene

C13H22 — CID 143323288

IUPAC(4E)-4-ethyl-2,5,7-trimethylocta-2,4,6-triene
SMILESCC/C(C=C(C)C)=C(/C)C=C(C)C
InChIInChI=1S/C13H22/c1-7-13(9-11(4)5)12(6)8-10(2)3/h8-9H,7H2,1-6H3/b13-12+
InChIKeyLQOLRGHBLJTGSN-OUKQBFOZSA-N
MW178.32 g/mol
LogP4.65
Rot. Bonds3

About (4E)-4-ethyl-2,5,7-trimethylocta-2,4,6-triene

(4E)-4-ethyl-2,5,7-trimethylocta-2,4,6-triene (PubChem CID 143323288) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is (4E)-4-ethyl-2,5,7-trimethylocta-2,4,6-triene.

Molecular Properties

Compound Name(4E)-4-ethyl-2,5,7-trimethylocta-2,4,6-triene
PubChem CID143323288
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name(4E)-4-ethyl-2,5,7-trimethylocta-2,4,6-triene
SMILESCC/C(C=C(C)C)=C(/C)C=C(C)C
InChIInChI=1S/C13H22/c1-7-13(9-11(4)5)12(6)8-10(2)3/h8-9H,7H2,1-6H3/b13-12+
InChIKeyLQOLRGHBLJTGSN-OUKQBFOZSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.65
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

(4E)-5-(methoxymethyl)-2,4-dimethylhepta-2,4-diene
CID 143801880
(3Z)-3-ethyl-4,6-dimethylhepta-3,5-dien-2-imine
CID 126639572
butan-2-one;4-methylpent-3-en-2-one
CID 87594966
ethane;(4E,6Z)-2,4,7-trimethyl-5-[(Z)-prop-1-enyl]nona-2,4,6-triene
CID 143893546
(3Z)-4-bromo-6-methylhepta-3,5-dien-3-ol
CID 166942927
(4E,5E,6E)-4,5-di(ethylidene)-2,7-dimethylnona-2,6-diene
CID 144520293
1,1,1-trifluoro-2,6-dimethyl-4-propan-2-ylidenehept-5-en-2-ol
CID 88579037
(4Z)-4-chloro-5-fluoro-2-methylhepta-2,4-diene
CID 142966320
5-methyl-N-propan-2-ylhex-4-en-3-imine
CID 130433844
(2E,4E)-3-ethylhepta-2,4,6-triene-2,5-diol
CID 142132997
4-ethyl-5-hydroxy-2-methylhexa-2,4-dienoic acid
CID 163057960
ethane;(3Z,5Z)-3-ethyl-4-methylhepta-1,3,5-triene
CID 142883433

Frequently Asked Questions

What is the IUPAC name of (4E)-4-ethyl-2,5,7-trimethylocta-2,4,6-triene?
The IUPAC name of (4E)-4-ethyl-2,5,7-trimethylocta-2,4,6-triene (CID 143323288) is (4E)-4-ethyl-2,5,7-trimethylocta-2,4,6-triene.
What is the SMILES notation for (4E)-4-ethyl-2,5,7-trimethylocta-2,4,6-triene?
The canonical SMILES for (4E)-4-ethyl-2,5,7-trimethylocta-2,4,6-triene is CC/C(C=C(C)C)=C(/C)C=C(C)C.
What is the InChIKey of (4E)-4-ethyl-2,5,7-trimethylocta-2,4,6-triene?
The InChIKey is LQOLRGHBLJTGSN-OUKQBFOZSA-N. The full InChI is InChI=1S/C13H22/c1-7-13(9-11(4)5)12(6)8-10(2)3/h8-9H,7H2,1-6H3/b13-12+.
What are the key properties of (4E)-4-ethyl-2,5,7-trimethylocta-2,4,6-triene?
(4E)-4-ethyl-2,5,7-trimethylocta-2,4,6-triene has a molecular weight of 178.32 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-ethyl-2,5,7-trimethylocta-2,4,6-triene is sourced from PubChem (CID 143323288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).