(3E,6E)-2,3,4,6-tetramethylocta-1,3,6-triene

C12H20 — CID 20695183

IUPAC(3E,6E)-2,3,4,6-tetramethylocta-1,3,6-triene
SMILESC=C(C)/C(C)=C(\C)C/C(C)=C/C
InChIInChI=1S/C12H20/c1-7-10(4)8-11(5)12(6)9(2)3/h7H,2,8H2,1,3-6H3/b10-7+,12-11+
InChIKeyNPSLLRUWZWQGCM-OFJXCKHESA-N
MW164.29 g/mol
LogP4.26
Rot. Bonds3

About (3E,6E)-2,3,4,6-tetramethylocta-1,3,6-triene

(3E,6E)-2,3,4,6-tetramethylocta-1,3,6-triene (PubChem CID 20695183) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is (3E,6E)-2,3,4,6-tetramethylocta-1,3,6-triene.

Molecular Properties

Compound Name(3E,6E)-2,3,4,6-tetramethylocta-1,3,6-triene
PubChem CID20695183
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name(3E,6E)-2,3,4,6-tetramethylocta-1,3,6-triene
SMILESC=C(C)/C(C)=C(\C)C/C(C)=C/C
InChIInChI=1S/C12H20/c1-7-10(4)8-11(5)12(6)9(2)3/h7H,2,8H2,1,3-6H3/b10-7+,12-11+
InChIKeyNPSLLRUWZWQGCM-OFJXCKHESA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,6E)-2,3,4,6-tetramethylocta-1,3,6-triene?
The IUPAC name of (3E,6E)-2,3,4,6-tetramethylocta-1,3,6-triene (CID 20695183) is (3E,6E)-2,3,4,6-tetramethylocta-1,3,6-triene.
What is the SMILES notation for (3E,6E)-2,3,4,6-tetramethylocta-1,3,6-triene?
The canonical SMILES for (3E,6E)-2,3,4,6-tetramethylocta-1,3,6-triene is C=C(C)/C(C)=C(\C)C/C(C)=C/C.
What is the InChIKey of (3E,6E)-2,3,4,6-tetramethylocta-1,3,6-triene?
The InChIKey is NPSLLRUWZWQGCM-OFJXCKHESA-N. The full InChI is InChI=1S/C12H20/c1-7-10(4)8-11(5)12(6)9(2)3/h7H,2,8H2,1,3-6H3/b10-7+,12-11+.
What are the key properties of (3E,6E)-2,3,4,6-tetramethylocta-1,3,6-triene?
(3E,6E)-2,3,4,6-tetramethylocta-1,3,6-triene has a molecular weight of 164.29 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6E)-2,3,4,6-tetramethylocta-1,3,6-triene is sourced from PubChem (CID 20695183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).