(3E,5E)-2-(dibromomethyl)-3,5-dimethylocta-1,3,5,7-tetraene

C11H14Br2 — CID 167298900

IUPAC(3E,5E)-2-(dibromomethyl)-3,5-dimethylocta-1,3,5,7-tetraene
SMILESC=C/C=C(C)/C=C(\C)C(=C)C(Br)Br
InChIInChI=1S/C11H14Br2/c1-5-6-8(2)7-9(3)10(4)11(12)13/h5-7,11H,1,4H2,2-3H3/b8-6+,9-7+
InChIKeyPERIJEWZZYJBMR-CDJQDVQCSA-N
MW306.04 g/mol
LogP4.74
Rot. Bonds4

About (3E,5E)-2-(dibromomethyl)-3,5-dimethylocta-1,3,5,7-tetraene

(3E,5E)-2-(dibromomethyl)-3,5-dimethylocta-1,3,5,7-tetraene (PubChem CID 167298900) has the molecular formula C11H14Br2 and a molecular weight of 306.04 g/mol. Its IUPAC name is (3E,5E)-2-(dibromomethyl)-3,5-dimethylocta-1,3,5,7-tetraene.

Molecular Properties

Compound Name(3E,5E)-2-(dibromomethyl)-3,5-dimethylocta-1,3,5,7-tetraene
PubChem CID167298900
Molecular FormulaC11H14Br2
Molecular Weight306.04 g/mol
Exact Mass303.95
IUPAC Name(3E,5E)-2-(dibromomethyl)-3,5-dimethylocta-1,3,5,7-tetraene
SMILESC=C/C=C(C)/C=C(\C)C(=C)C(Br)Br
InChIInChI=1S/C11H14Br2/c1-5-6-8(2)7-9(3)10(4)11(12)13/h5-7,11H,1,4H2,2-3H3/b8-6+,9-7+
InChIKeyPERIJEWZZYJBMR-CDJQDVQCSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.04
LogP ≤ 54.74
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

(3E,5Z)-3-bromo-5-methylocta-1,3,5,7-tetraene;ethane
CID 144847010
(4E,6E)-4,6-dimethylnona-1,4,6,8-tetraen-2-ol
CID 118001222
(3E)-3-methylhexa-1,3,5-triene
CID 5367380
(3Z,5E)-6-hydroperoxy-4-methylhepta-1,3,5-triene
CID 145263445
(3Z,5Z)-4,6-dimethylocta-1,3,5-triene
CID 142052852
ethane;(3Z)-2-fluoro-3-methylhexa-1,3,5-triene
CID 143773751
fluoroform;(3Z)-3-methylhexa-1,3,5-triene
CID 142106535
ethane;(3Z,5E)-4-methyl-5-prop-1-en-2-ylocta-1,3,5,7-tetraene
CID 144917186
(3Z)-3-methyl-2-methylsulfanylhexa-1,3,5-triene
CID 177208202
ethane;ethene;(3Z)-3-methylhexa-1,3,5-triene
CID 145383595
(3Z,5E)-6-(2,2-difluoroethoxy)-4-methylhepta-1,3,5-triene
CID 144673111
(2S)-3-methylhexa-3,5-dien-2-ol
CID 91237293

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-2-(dibromomethyl)-3,5-dimethylocta-1,3,5,7-tetraene?
The IUPAC name of (3E,5E)-2-(dibromomethyl)-3,5-dimethylocta-1,3,5,7-tetraene (CID 167298900) is (3E,5E)-2-(dibromomethyl)-3,5-dimethylocta-1,3,5,7-tetraene.
What is the SMILES notation for (3E,5E)-2-(dibromomethyl)-3,5-dimethylocta-1,3,5,7-tetraene?
The canonical SMILES for (3E,5E)-2-(dibromomethyl)-3,5-dimethylocta-1,3,5,7-tetraene is C=C/C=C(C)/C=C(\C)C(=C)C(Br)Br.
What is the InChIKey of (3E,5E)-2-(dibromomethyl)-3,5-dimethylocta-1,3,5,7-tetraene?
The InChIKey is PERIJEWZZYJBMR-CDJQDVQCSA-N. The full InChI is InChI=1S/C11H14Br2/c1-5-6-8(2)7-9(3)10(4)11(12)13/h5-7,11H,1,4H2,2-3H3/b8-6+,9-7+.
What are the key properties of (3E,5E)-2-(dibromomethyl)-3,5-dimethylocta-1,3,5,7-tetraene?
(3E,5E)-2-(dibromomethyl)-3,5-dimethylocta-1,3,5,7-tetraene has a molecular weight of 306.04 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-2-(dibromomethyl)-3,5-dimethylocta-1,3,5,7-tetraene is sourced from PubChem (CID 167298900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).