(3E,5E)-2,2,7,7-tetramethylocta-3,5-diene

C12H22 — CID 5463027

IUPAC(3E,5E)-2,2,7,7-tetramethylocta-3,5-diene
SMILESCC(C)(C)/C=C/C=C/C(C)(C)C
InChIInChI=1S/C12H22/c1-11(2,3)9-7-8-10-12(4,5)6/h7-10H,1-6H3/b9-7+,10-8+
InChIKeyCWNHIRCWNQMGEU-FIFLTTCUSA-N
MW166.31 g/mol
LogP4.19
Rot. Bonds1

About (3E,5E)-2,2,7,7-tetramethylocta-3,5-diene

(3E,5E)-2,2,7,7-tetramethylocta-3,5-diene (PubChem CID 5463027) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (3E,5E)-2,2,7,7-tetramethylocta-3,5-diene.

Molecular Properties

Compound Name(3E,5E)-2,2,7,7-tetramethylocta-3,5-diene
PubChem CID5463027
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(3E,5E)-2,2,7,7-tetramethylocta-3,5-diene
SMILESCC(C)(C)/C=C/C=C/C(C)(C)C
InChIInChI=1S/C12H22/c1-11(2,3)9-7-8-10-12(4,5)6/h7-10H,1-6H3/b9-7+,10-8+
InChIKeyCWNHIRCWNQMGEU-FIFLTTCUSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.19
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 (3E,5E)-2,2,7,7-tetramethylocta-3,5-diene?
The IUPAC name of (3E,5E)-2,2,7,7-tetramethylocta-3,5-diene (CID 5463027) is (3E,5E)-2,2,7,7-tetramethylocta-3,5-diene.
What is the SMILES notation for (3E,5E)-2,2,7,7-tetramethylocta-3,5-diene?
The canonical SMILES for (3E,5E)-2,2,7,7-tetramethylocta-3,5-diene is CC(C)(C)/C=C/C=C/C(C)(C)C.
What is the InChIKey of (3E,5E)-2,2,7,7-tetramethylocta-3,5-diene?
The InChIKey is CWNHIRCWNQMGEU-FIFLTTCUSA-N. The full InChI is InChI=1S/C12H22/c1-11(2,3)9-7-8-10-12(4,5)6/h7-10H,1-6H3/b9-7+,10-8+.
What are the key properties of (3E,5E)-2,2,7,7-tetramethylocta-3,5-diene?
(3E,5E)-2,2,7,7-tetramethylocta-3,5-diene has a molecular weight of 166.31 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-2,2,7,7-tetramethylocta-3,5-diene is sourced from PubChem (CID 5463027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).