(2E,4E,6E)-1,8-dichloro-2,7-dimethylocta-2,4,6-triene

C10H14Cl2 — CID 58098457

IUPAC(2E,4E,6E)-1,8-dichloro-2,7-dimethylocta-2,4,6-triene
SMILESC/C(=C\C=C\C=C(/C)CCl)CCl
InChIInChI=1S/C10H14Cl2/c1-9(7-11)5-3-4-6-10(2)8-12/h3-6H,7-8H2,1-2H3/b4-3+,9-5+,10-6+
InChIKeyJLVHPARHKHCEGX-XLKYRCCQSA-N
MW205.13 g/mol
LogP3.91
Rot. Bonds4

About (2E,4E,6E)-1,8-dichloro-2,7-dimethylocta-2,4,6-triene

(2E,4E,6E)-1,8-dichloro-2,7-dimethylocta-2,4,6-triene (PubChem CID 58098457) has the molecular formula C10H14Cl2 and a molecular weight of 205.13 g/mol. Its IUPAC name is (2E,4E,6E)-1,8-dichloro-2,7-dimethylocta-2,4,6-triene.

Molecular Properties

Compound Name(2E,4E,6E)-1,8-dichloro-2,7-dimethylocta-2,4,6-triene
PubChem CID58098457
Molecular FormulaC10H14Cl2
Molecular Weight205.13 g/mol
Exact Mass204.05
IUPAC Name(2E,4E,6E)-1,8-dichloro-2,7-dimethylocta-2,4,6-triene
SMILESC/C(=C\C=C\C=C(/C)CCl)CCl
InChIInChI=1S/C10H14Cl2/c1-9(7-11)5-3-4-6-10(2)8-12/h3-6H,7-8H2,1-2H3/b4-3+,9-5+,10-6+
InChIKeyJLVHPARHKHCEGX-XLKYRCCQSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(5-chloro-4-methylpenta-1,3-dienyl)benzene
CID 79323612
(2E,4E,6E)-8-chloro-1,1-dimethoxy-3,7-dimethylocta-2,4,6-triene
CID 10878980
(3E,5E)-7-chloro-3-fluoro-6-methylhepta-1,3,5-triene
CID 126711128
(E)-1,5-dichloro-4-methylpent-3-en-2-one
CID 5367734
1,8-dibromo-2,7-dimethylocta-2,4,6-triene;1,8-dichloro-2,7-dimethylocta-2,4,6-triene;2,7-dimethylocta-1,7-dien-4-yne-3,6-diol;2,7-dimethylocta-1,4,7-triene-3,6-diol;2-methylpent-1-en-4-yn-3-ol
CID 160837293
(2E,4Z,6Z)-2-methylocta-2,4,6-trien-1-ol
CID 89381330
(2E,4Z)-2-methylhepta-2,4-diene-1-thiol
CID 145391343
(2E,6E)-1-chloro-2,6-dimethylocta-2,6-diene
CID 13409854
(E)-3-chloro-2-methylprop-1-ene-1-sulfonamide
CID 55301289
(4E)-2,7-dimethylocta-2,4,6-triene
CID 11116127
1-chloro-2,6-dimethylhepta-2,5-dien-4-one;methanol
CID 159580944
(Z)-1-chloro-2,6-dimethylhept-2-ene
CID 59072785

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E)-1,8-dichloro-2,7-dimethylocta-2,4,6-triene?
The IUPAC name of (2E,4E,6E)-1,8-dichloro-2,7-dimethylocta-2,4,6-triene (CID 58098457) is (2E,4E,6E)-1,8-dichloro-2,7-dimethylocta-2,4,6-triene.
What is the SMILES notation for (2E,4E,6E)-1,8-dichloro-2,7-dimethylocta-2,4,6-triene?
The canonical SMILES for (2E,4E,6E)-1,8-dichloro-2,7-dimethylocta-2,4,6-triene is C/C(=C\C=C\C=C(/C)CCl)CCl.
What is the InChIKey of (2E,4E,6E)-1,8-dichloro-2,7-dimethylocta-2,4,6-triene?
The InChIKey is JLVHPARHKHCEGX-XLKYRCCQSA-N. The full InChI is InChI=1S/C10H14Cl2/c1-9(7-11)5-3-4-6-10(2)8-12/h3-6H,7-8H2,1-2H3/b4-3+,9-5+,10-6+.
What are the key properties of (2E,4E,6E)-1,8-dichloro-2,7-dimethylocta-2,4,6-triene?
(2E,4E,6E)-1,8-dichloro-2,7-dimethylocta-2,4,6-triene has a molecular weight of 205.13 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-1,8-dichloro-2,7-dimethylocta-2,4,6-triene is sourced from PubChem (CID 58098457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).