(4Z)-2,3,5,7-tetramethylocta-2,4,6-triene

C12H20 — CID 142272318

IUPAC(4Z)-2,3,5,7-tetramethylocta-2,4,6-triene
SMILESCC(C)=C/C(C)=C\C(C)=C(C)C
InChIInChI=1S/C12H20/c1-9(2)7-11(5)8-12(6)10(3)4/h7-8H,1-6H3/b11-8-
InChIKeyIRFSXFSITHHSKW-FLIBITNWSA-N
MW164.29 g/mol
LogP4.26
Rot. Bonds2

About (4Z)-2,3,5,7-tetramethylocta-2,4,6-triene

(4Z)-2,3,5,7-tetramethylocta-2,4,6-triene (PubChem CID 142272318) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is (4Z)-2,3,5,7-tetramethylocta-2,4,6-triene.

Molecular Properties

Compound Name(4Z)-2,3,5,7-tetramethylocta-2,4,6-triene
PubChem CID142272318
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name(4Z)-2,3,5,7-tetramethylocta-2,4,6-triene
SMILESCC(C)=C/C(C)=C\C(C)=C(C)C
InChIInChI=1S/C12H20/c1-9(2)7-11(5)8-12(6)10(3)4/h7-8H,1-6H3/b11-8-
InChIKeyIRFSXFSITHHSKW-FLIBITNWSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-2,3,5,7-tetramethylocta-2,4,6-triene?
The IUPAC name of (4Z)-2,3,5,7-tetramethylocta-2,4,6-triene (CID 142272318) is (4Z)-2,3,5,7-tetramethylocta-2,4,6-triene.
What is the SMILES notation for (4Z)-2,3,5,7-tetramethylocta-2,4,6-triene?
The canonical SMILES for (4Z)-2,3,5,7-tetramethylocta-2,4,6-triene is CC(C)=C/C(C)=C\C(C)=C(C)C.
What is the InChIKey of (4Z)-2,3,5,7-tetramethylocta-2,4,6-triene?
The InChIKey is IRFSXFSITHHSKW-FLIBITNWSA-N. The full InChI is InChI=1S/C12H20/c1-9(2)7-11(5)8-12(6)10(3)4/h7-8H,1-6H3/b11-8-.
What are the key properties of (4Z)-2,3,5,7-tetramethylocta-2,4,6-triene?
(4Z)-2,3,5,7-tetramethylocta-2,4,6-triene has a molecular weight of 164.29 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2,3,5,7-tetramethylocta-2,4,6-triene is sourced from PubChem (CID 142272318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).