(3E,5E)-2,3,6,7-tetramethylocta-3,5-diene

C12H22 — CID 143858492

IUPAC(3E,5E)-2,3,6,7-tetramethylocta-3,5-diene
SMILESC/C(=C\C=C(/C)C(C)C)C(C)C
InChIInChI=1S/C12H22/c1-9(2)11(5)7-8-12(6)10(3)4/h7-10H,1-6H3/b11-7+,12-8+
InChIKeyXIRIVWFCGUYLHI-MKICQXMISA-N
MW166.31 g/mol
LogP4.19
Rot. Bonds3

About (3E,5E)-2,3,6,7-tetramethylocta-3,5-diene

(3E,5E)-2,3,6,7-tetramethylocta-3,5-diene (PubChem CID 143858492) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (3E,5E)-2,3,6,7-tetramethylocta-3,5-diene.

Molecular Properties

Compound Name(3E,5E)-2,3,6,7-tetramethylocta-3,5-diene
PubChem CID143858492
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(3E,5E)-2,3,6,7-tetramethylocta-3,5-diene
SMILESC/C(=C\C=C(/C)C(C)C)C(C)C
InChIInChI=1S/C12H22/c1-9(2)11(5)7-8-12(6)10(3)4/h7-10H,1-6H3/b11-7+,12-8+
InChIKeyXIRIVWFCGUYLHI-MKICQXMISA-N
XLogP4.19
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 ≤ 54.19
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

(Z)-3,4-dimethylpent-2-ene;ethane
CID 143977238
2,3,5,6,6-pentamethylhept-3-ene
CID 76726619
(3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-amine
CID 130346405
(4Z,6E)-7,8-dimethylnona-4,6-dien-2-ol
CID 142105657
(E)-3,4-dimethylpent-2-ene;ethene;propane
CID 178040270
(E)-3,4-dimethylpent-2-enenitrile
CID 13096538
(E)-1-chloro-3,4-dimethylpent-2-ene
CID 14510616
(3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene
CID 167471627
(3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene;ethane
CID 167471626
(Z)-3,4-dimethylpent-2-ene;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
CID 67857329
(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15,16-pentamethylheptadeca-2,4,6,8,10,12,14-heptaen-1-ol
CID 58633476
1-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfinylpiperidine;2-methylpropane
CID 156877730

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-2,3,6,7-tetramethylocta-3,5-diene?
The IUPAC name of (3E,5E)-2,3,6,7-tetramethylocta-3,5-diene (CID 143858492) is (3E,5E)-2,3,6,7-tetramethylocta-3,5-diene.
What is the SMILES notation for (3E,5E)-2,3,6,7-tetramethylocta-3,5-diene?
The canonical SMILES for (3E,5E)-2,3,6,7-tetramethylocta-3,5-diene is C/C(=C\C=C(/C)C(C)C)C(C)C.
What is the InChIKey of (3E,5E)-2,3,6,7-tetramethylocta-3,5-diene?
The InChIKey is XIRIVWFCGUYLHI-MKICQXMISA-N. The full InChI is InChI=1S/C12H22/c1-9(2)11(5)7-8-12(6)10(3)4/h7-10H,1-6H3/b11-7+,12-8+.
What are the key properties of (3E,5E)-2,3,6,7-tetramethylocta-3,5-diene?
(3E,5E)-2,3,6,7-tetramethylocta-3,5-diene has a molecular weight of 166.31 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-2,3,6,7-tetramethylocta-3,5-diene is sourced from PubChem (CID 143858492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).