(4E)-2,3,5,6-tetramethylocta-2,4-diene

C12H22 — CID 145376996

IUPAC(4E)-2,3,5,6-tetramethylocta-2,4-diene
SMILESCCC(C)/C(C)=C/C(C)=C(C)C
InChIInChI=1S/C12H22/c1-7-10(4)12(6)8-11(5)9(2)3/h8,10H,7H2,1-6H3/b12-8+
InChIKeyGKORUPZJMIDZLH-XYOKQWHBSA-N
MW166.31 g/mol
LogP4.34
Rot. Bonds3

About (4E)-2,3,5,6-tetramethylocta-2,4-diene

(4E)-2,3,5,6-tetramethylocta-2,4-diene (PubChem CID 145376996) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (4E)-2,3,5,6-tetramethylocta-2,4-diene.

Molecular Properties

Compound Name(4E)-2,3,5,6-tetramethylocta-2,4-diene
PubChem CID145376996
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(4E)-2,3,5,6-tetramethylocta-2,4-diene
SMILESCCC(C)/C(C)=C/C(C)=C(C)C
InChIInChI=1S/C12H22/c1-7-10(4)12(6)8-11(5)9(2)3/h8,10H,7H2,1-6H3/b12-8+
InChIKeyGKORUPZJMIDZLH-XYOKQWHBSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.34
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

(3Z,5E)-2-bromo-3,4,6,7-tetramethylnona-1,3,5-triene
CID 170078822
(Z)-4,5-dimethylhept-3-ene
CID 142511472
N,4,5-trimethyl-N-propan-2-yl-2-propan-2-ylidenehept-3-enamide
CID 123419710
(E)-2,5,6-trimethyloct-4-ene
CID 144800486
(2E,4E)-5-amino-3,6-dimethylocta-2,4-dien-2-ol
CID 130391029
1-(2,3-dimethylpent-1-enyl)-1-methylcyclopropane
CID 91455933
(3E,5Z)-3-fluoro-6,7-dimethylnona-1,3,5-triene
CID 170710017
(3E,5Z,7R)-6,7-dimethylnona-1,3,5-trien-3-amine
CID 145244449
(4E,6Z)-3,5,7-trimethylnona-4,6,8-trien-4-ol
CID 142311406
(4E)-2,3,5-trimethylocta-2,4-diene
CID 144603275
(E)-4,5-dimethyloct-3-en-2-one
CID 87291379
N-tert-butyl-4,5-dimethylhept-3-en-1-amine
CID 79607630

Frequently Asked Questions

What is the IUPAC name of (4E)-2,3,5,6-tetramethylocta-2,4-diene?
The IUPAC name of (4E)-2,3,5,6-tetramethylocta-2,4-diene (CID 145376996) is (4E)-2,3,5,6-tetramethylocta-2,4-diene.
What is the SMILES notation for (4E)-2,3,5,6-tetramethylocta-2,4-diene?
The canonical SMILES for (4E)-2,3,5,6-tetramethylocta-2,4-diene is CCC(C)/C(C)=C/C(C)=C(C)C.
What is the InChIKey of (4E)-2,3,5,6-tetramethylocta-2,4-diene?
The InChIKey is GKORUPZJMIDZLH-XYOKQWHBSA-N. The full InChI is InChI=1S/C12H22/c1-7-10(4)12(6)8-11(5)9(2)3/h8,10H,7H2,1-6H3/b12-8+.
What are the key properties of (4E)-2,3,5,6-tetramethylocta-2,4-diene?
(4E)-2,3,5,6-tetramethylocta-2,4-diene has a molecular weight of 166.31 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2,3,5,6-tetramethylocta-2,4-diene is sourced from PubChem (CID 145376996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).