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

C20H36 — CID 165013974

IUPAC3,7-dimethylocta-1,6-diene;(6E)-2,6-dimethylocta-2,6-diene
SMILESC/C=C(\C)CCC=C(C)C.C=CC(C)CCC=C(C)C
InChIInChI=1S/2C10H18/c2*1-5-10(4)8-6-7-9(2)3/h5,7H,6,8H2,1-4H3;5,7,10H,1,6,8H2,2-4H3/b10-5+;
InChIKeyKCZQVWBWPIAZFS-OAZHBLANSA-N
MW276.51 g/mol
LogP7.25
Rot. Bonds7

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

3,7-dimethylocta-1,6-diene;(6E)-2,6-dimethylocta-2,6-diene (PubChem CID 165013974) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is 3,7-dimethylocta-1,6-diene;(6E)-2,6-dimethylocta-2,6-diene.

Molecular Properties

Compound Name3,7-dimethylocta-1,6-diene;(6E)-2,6-dimethylocta-2,6-diene
PubChem CID165013974
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name3,7-dimethylocta-1,6-diene;(6E)-2,6-dimethylocta-2,6-diene
SMILESC/C=C(\C)CCC=C(C)C.C=CC(C)CCC=C(C)C
InChIInChI=1S/2C10H18/c2*1-5-10(4)8-6-7-9(2)3/h5,7H,6,8H2,1-4H3;5,7,10H,1,6,8H2,2-4H3/b10-5+;
InChIKeyKCZQVWBWPIAZFS-OAZHBLANSA-N
XLogP7.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(6E)-2,6-dimethylocta-2,6-diene
CID 5365898
(6E,11E)-2,6,10-trimethyltrideca-2,6,11-triene
CID 148658393
(10S)-2,6,10-trimethyltrideca-2,6,11-triene
CID 57030104
2,6,10-trimethyldodeca-2,6,11-trienal
CID 57254613
(6E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6,13-triene
CID 101024695
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
ethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene
CID 143275958
(6E)-10-ethenyl-2,6,13-trimethyltetradeca-2,6-diene
CID 140642313
dichlorozinc;(6E)-2,6-dimethylocta-2,6-diene
CID 174338717
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87-docosamethyloctaoctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86-henicosaen-1-ol
CID 139698181
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91-tricosamethyldononaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90-docosaen-1-ol
CID 139698175
(6E,10E,14E,18E,22E,26Z,30E,34E,38E,42E,46Z,50E,54E,58E,62E,66E,70E,74Z)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79-icosamethyloctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78-nonadecaen-1-ol
CID 11818896

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethylocta-1,6-diene;(6E)-2,6-dimethylocta-2,6-diene?
The IUPAC name of 3,7-dimethylocta-1,6-diene;(6E)-2,6-dimethylocta-2,6-diene (CID 165013974) is 3,7-dimethylocta-1,6-diene;(6E)-2,6-dimethylocta-2,6-diene.
What is the SMILES notation for 3,7-dimethylocta-1,6-diene;(6E)-2,6-dimethylocta-2,6-diene?
The canonical SMILES for 3,7-dimethylocta-1,6-diene;(6E)-2,6-dimethylocta-2,6-diene is C/C=C(\C)CCC=C(C)C.C=CC(C)CCC=C(C)C.
What is the InChIKey of 3,7-dimethylocta-1,6-diene;(6E)-2,6-dimethylocta-2,6-diene?
The InChIKey is KCZQVWBWPIAZFS-OAZHBLANSA-N. The full InChI is InChI=1S/2C10H18/c2*1-5-10(4)8-6-7-9(2)3/h5,7H,6,8H2,1-4H3;5,7,10H,1,6,8H2,2-4H3/b10-5+;.
What are the key properties of 3,7-dimethylocta-1,6-diene;(6E)-2,6-dimethylocta-2,6-diene?
3,7-dimethylocta-1,6-diene;(6E)-2,6-dimethylocta-2,6-diene has a molecular weight of 276.51 g/mol, XLogP of 7.25, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethylocta-1,6-diene;(6E)-2,6-dimethylocta-2,6-diene is sourced from PubChem (CID 165013974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).