2,6-dimethylocta-1,7-diene;(3E)-3,7-dimethylocta-1,3-diene;3,7-dimethylocta-1,6-diene;(5E)-2,6-dimethylocta-1,5-diene;(5E)-2,6-dimethylocta-2,5-diene;(6E)-2,6-dimethylocta-1,6-diene

C60H108 — CID 161213179

IUPAC2,6-dimethylocta-1,7-diene;(3E)-3,7-dimethylocta-1,3-diene;3,7-dimethylocta-1,6-diene;(5E)-2,6-dimethylocta-1,5-diene;(5E)-2,6-dimethylocta-2,5-diene;(6E)-2,6-dimethylocta-1,6-diene
SMILESC=C(C)CC/C=C(\C)CC.C=C(C)CCC/C(C)=C/C.C=C/C(C)=C/CCC(C)C.C=CC(C)CCC=C(C)C.C=CC(C)CCCC(=C)C.CC/C(C)=C/CC=C(C)C
InChIInChI=1S/6C10H18/c6*1-5-10(4)8-6-7-9(2)3/h7-8H,5-6H2,1-4H3;8H,2,5-7H2,1,3-4H3;5H,2,6-8H2,1,3-4H3;5,8-9H,1,6-7H2,2-4H3;5,7,10H,1,6,8H2,2-4H3;5,10H,1-2,6-8H2,3-4H3/b2*10-8+;10-5+;10-8+;;
InChIKeyUWMWOSMQNYHFPC-RUEBLLCPSA-N
MW829.52 g/mol
LogP21.76
Rot. Bonds24

About 2,6-dimethylocta-1,7-diene;(3E)-3,7-dimethylocta-1,3-diene;3,7-dimethylocta-1,6-diene;(5E)-2,6-dimethylocta-1,5-diene;(5E)-2,6-dimethylocta-2,5-diene;(6E)-2,6-dimethylocta-1,6-diene

2,6-dimethylocta-1,7-diene;(3E)-3,7-dimethylocta-1,3-diene;3,7-dimethylocta-1,6-diene;(5E)-2,6-dimethylocta-1,5-diene;(5E)-2,6-dimethylocta-2,5-diene;(6E)-2,6-dimethylocta-1,6-diene (PubChem CID 161213179) has the molecular formula C60H108 and a molecular weight of 829.52 g/mol. Its IUPAC name is 2,6-dimethylocta-1,7-diene;(3E)-3,7-dimethylocta-1,3-diene;3,7-dimethylocta-1,6-diene;(5E)-2,6-dimethylocta-1,5-diene;(5E)-2,6-dimethylocta-2,5-diene;(6E)-2,6-dimethylocta-1,6-diene.

Molecular Properties

Compound Name2,6-dimethylocta-1,7-diene;(3E)-3,7-dimethylocta-1,3-diene;3,7-dimethylocta-1,6-diene;(5E)-2,6-dimethylocta-1,5-diene;(5E)-2,6-dimethylocta-2,5-diene;(6E)-2,6-dimethylocta-1,6-diene
PubChem CID161213179
Molecular FormulaC60H108
Molecular Weight829.52 g/mol
Exact Mass828.85
IUPAC Name2,6-dimethylocta-1,7-diene;(3E)-3,7-dimethylocta-1,3-diene;3,7-dimethylocta-1,6-diene;(5E)-2,6-dimethylocta-1,5-diene;(5E)-2,6-dimethylocta-2,5-diene;(6E)-2,6-dimethylocta-1,6-diene
SMILESC=C(C)CC/C=C(\C)CC.C=C(C)CCC/C(C)=C/C.C=C/C(C)=C/CCC(C)C.C=CC(C)CCC=C(C)C.C=CC(C)CCCC(=C)C.CC/C(C)=C/CC=C(C)C
InChIInChI=1S/6C10H18/c6*1-5-10(4)8-6-7-9(2)3/h7-8H,5-6H2,1-4H3;8H,2,5-7H2,1,3-4H3;5H,2,6-8H2,1,3-4H3;5,8-9H,1,6-7H2,2-4H3;5,7,10H,1,6,8H2,2-4H3;5,10H,1-2,6-8H2,3-4H3/b2*10-8+;10-5+;10-8+;;
InChIKeyUWMWOSMQNYHFPC-RUEBLLCPSA-N
XLogP21.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.52
LogP ≤ 521.76
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'}

Analyze 2,6-dimethylocta-1,7-diene;(3E)-3,7-dimethylocta-1,3-diene;3,7-dimethylocta-1,6-diene;(5E)-2,6-dimethylocta-1,5-diene;(5E)-2,6-dimethylocta-2,5-diene;(6E)-2,6-dimethylocta-1,6-diene with MolForge

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Related Compounds

(6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;(6E)-7,11-dimethyl-3-methylidenedodeca-1,6-diene;(3E)-3,7,11-trimethyldodeca-1,3,10-triene;(3E,6E)-3,7,11-trimethyldodeca-1,3,6-triene;(5E,10E)-2,6,10-trimethyldodeca-2,5,10-triene;(6E)-3,7,11-trimethyldodeca-1,6,10-triene;(6E,9E)-2,6,10-trimethyldodeca-2,6,9-triene;(6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene
CID 161488636
3,7-dimethylocta-1,6-diene;(6E)-2,6-dimethylocta-2,6-diene
CID 165013974
2,6,10-trimethyldodeca-2,6,11-trienal
CID 57254613
2,6-dimethylocta-1,5-diene
CID 54025904
(6E)-2,6,14-trimethyl-10-methylidene-9-(3-methylpent-4-enyl)pentadeca-2,6-diene
CID 5471131
magnesium;3,7,11-trimethyldodeca-2,6-diene;dichloride
CID 174246815
(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;methane;(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
CID 158402923
(5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraene
CID 11758910
(6E)-10-ethenyl-2,6,13-trimethyltetradeca-2,6-diene
CID 140642313
(3E,6E,10E)-7-ethyl-3,11-dimethyltrideca-1,3,6,10-tetraene
CID 22236783
22-ethenoxy-2,6,10,15,19-pentamethyldocosa-2,6,11,14,18-pentaene
CID 57278514
2,6-dimethylheptane;3,7-dimethylocta-1,6-diene;2,6-dimethyloct-2-ene;2-methylprop-1-ene;tris(3,7-dimethyloct-6-enyl)alumane;hydrate
CID 163435856

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylocta-1,7-diene;(3E)-3,7-dimethylocta-1,3-diene;3,7-dimethylocta-1,6-diene;(5E)-2,6-dimethylocta-1,5-diene;(5E)-2,6-dimethylocta-2,5-diene;(6E)-2,6-dimethylocta-1,6-diene?
The IUPAC name of 2,6-dimethylocta-1,7-diene;(3E)-3,7-dimethylocta-1,3-diene;3,7-dimethylocta-1,6-diene;(5E)-2,6-dimethylocta-1,5-diene;(5E)-2,6-dimethylocta-2,5-diene;(6E)-2,6-dimethylocta-1,6-diene (CID 161213179) is 2,6-dimethylocta-1,7-diene;(3E)-3,7-dimethylocta-1,3-diene;3,7-dimethylocta-1,6-diene;(5E)-2,6-dimethylocta-1,5-diene;(5E)-2,6-dimethylocta-2,5-diene;(6E)-2,6-dimethylocta-1,6-diene.
What is the SMILES notation for 2,6-dimethylocta-1,7-diene;(3E)-3,7-dimethylocta-1,3-diene;3,7-dimethylocta-1,6-diene;(5E)-2,6-dimethylocta-1,5-diene;(5E)-2,6-dimethylocta-2,5-diene;(6E)-2,6-dimethylocta-1,6-diene?
The canonical SMILES for 2,6-dimethylocta-1,7-diene;(3E)-3,7-dimethylocta-1,3-diene;3,7-dimethylocta-1,6-diene;(5E)-2,6-dimethylocta-1,5-diene;(5E)-2,6-dimethylocta-2,5-diene;(6E)-2,6-dimethylocta-1,6-diene is C=C(C)CC/C=C(\C)CC.C=C(C)CCC/C(C)=C/C.C=C/C(C)=C/CCC(C)C.C=CC(C)CCC=C(C)C.C=CC(C)CCCC(=C)C.CC/C(C)=C/CC=C(C)C.
What is the InChIKey of 2,6-dimethylocta-1,7-diene;(3E)-3,7-dimethylocta-1,3-diene;3,7-dimethylocta-1,6-diene;(5E)-2,6-dimethylocta-1,5-diene;(5E)-2,6-dimethylocta-2,5-diene;(6E)-2,6-dimethylocta-1,6-diene?
The InChIKey is UWMWOSMQNYHFPC-RUEBLLCPSA-N. The full InChI is InChI=1S/6C10H18/c6*1-5-10(4)8-6-7-9(2)3/h7-8H,5-6H2,1-4H3;8H,2,5-7H2,1,3-4H3;5H,2,6-8H2,1,3-4H3;5,8-9H,1,6-7H2,2-4H3;5,7,10H,1,6,8H2,2-4H3;5,10H,1-2,6-8H2,3-4H3/b2*10-8+;10-5+;10-8+;;.
What are the key properties of 2,6-dimethylocta-1,7-diene;(3E)-3,7-dimethylocta-1,3-diene;3,7-dimethylocta-1,6-diene;(5E)-2,6-dimethylocta-1,5-diene;(5E)-2,6-dimethylocta-2,5-diene;(6E)-2,6-dimethylocta-1,6-diene?
2,6-dimethylocta-1,7-diene;(3E)-3,7-dimethylocta-1,3-diene;3,7-dimethylocta-1,6-diene;(5E)-2,6-dimethylocta-1,5-diene;(5E)-2,6-dimethylocta-2,5-diene;(6E)-2,6-dimethylocta-1,6-diene has a molecular weight of 829.52 g/mol, XLogP of 21.76, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylocta-1,7-diene;(3E)-3,7-dimethylocta-1,3-diene;3,7-dimethylocta-1,6-diene;(5E)-2,6-dimethylocta-1,5-diene;(5E)-2,6-dimethylocta-2,5-diene;(6E)-2,6-dimethylocta-1,6-diene is sourced from PubChem (CID 161213179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).