(4E,6Z)-2,5-dimethylocta-2,4,6-triene

C10H16 — CID 124560377

IUPAC(4E,6Z)-2,5-dimethylocta-2,4,6-triene
SMILESC/C=C\C(C)=C\C=C(C)C
InChIInChI=1S/C10H16/c1-5-6-10(4)8-7-9(2)3/h5-8H,1-4H3/b6-5-,10-8+
InChIKeyVMJZCRLJWCETEG-UGXDAERVSA-N
MW136.24 g/mol
LogP3.47
Rot. Bonds2

About (4E,6Z)-2,5-dimethylocta-2,4,6-triene

(4E,6Z)-2,5-dimethylocta-2,4,6-triene (PubChem CID 124560377) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is (4E,6Z)-2,5-dimethylocta-2,4,6-triene.

Molecular Properties

Compound Name(4E,6Z)-2,5-dimethylocta-2,4,6-triene
PubChem CID124560377
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name(4E,6Z)-2,5-dimethylocta-2,4,6-triene
SMILESC/C=C\C(C)=C\C=C(C)C
InChIInChI=1S/C10H16/c1-5-6-10(4)8-7-9(2)3/h5-8H,1-4H3/b6-5-,10-8+
InChIKeyVMJZCRLJWCETEG-UGXDAERVSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.47
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

ethane;(2E,4Z,6E)-2-fluoro-5-methylocta-2,4,6-triene
CID 144635902
(1Z,3Z)-3,6-dimethylhepta-1,3,5-trien-1-amine
CID 130224549
(4E,6Z)-5-bromo-2-methylocta-2,4,6-triene
CID 142113249
5-bromo-2-methylocta-2,4,6-triene
CID 90964929
(3E,5Z,7Z)-6-methylnona-1,3,5,7-tetraen-3-amine
CID 143332399
(1E,3Z,5Z)-4-methylhepta-1,3,5-trien-1-amine
CID 88966128
2,5-dimethylocta-2,4,6-trienyl acetate
CID 122552471
(3Z,5Z,7E)-6-methylnona-1,3,5,7-tetraene
CID 144512529
(Z)-but-2-ene;ethane;(2Z,4Z)-3-methylhexa-2,4-diene
CID 142057667
2,4,7-trimethylocta-2,4,6-triene
CID 162298746
(3E,5E,7E,9E,11E,13Z,15E,17E)-3,7,12,16-tetramethylnonadeca-3,5,7,9,11,13,15,17-octaen-2-one
CID 10496105
ethane;(3E,5E,7E,9Z)-8-hydroxy-5-methylundeca-3,5,7,9-tetraen-2-one
CID 142226796

Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-2,5-dimethylocta-2,4,6-triene?
The IUPAC name of (4E,6Z)-2,5-dimethylocta-2,4,6-triene (CID 124560377) is (4E,6Z)-2,5-dimethylocta-2,4,6-triene.
What is the SMILES notation for (4E,6Z)-2,5-dimethylocta-2,4,6-triene?
The canonical SMILES for (4E,6Z)-2,5-dimethylocta-2,4,6-triene is C/C=C\C(C)=C\C=C(C)C.
What is the InChIKey of (4E,6Z)-2,5-dimethylocta-2,4,6-triene?
The InChIKey is VMJZCRLJWCETEG-UGXDAERVSA-N. The full InChI is InChI=1S/C10H16/c1-5-6-10(4)8-7-9(2)3/h5-8H,1-4H3/b6-5-,10-8+.
What are the key properties of (4E,6Z)-2,5-dimethylocta-2,4,6-triene?
(4E,6Z)-2,5-dimethylocta-2,4,6-triene has a molecular weight of 136.24 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-2,5-dimethylocta-2,4,6-triene is sourced from PubChem (CID 124560377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).