(3E,5Z)-5-bromo-7,7-dimethylocta-1,3,5-triene

C10H15Br — CID 12002581

IUPAC(3E,5Z)-5-bromo-7,7-dimethylocta-1,3,5-triene
SMILESC=C/C=C/C(Br)=C/C(C)(C)C
InChIInChI=1S/C10H15Br/c1-5-6-7-9(11)8-10(2,3)4/h5-8H,1H2,2-4H3/b7-6+,9-8-
InChIKeyNMGZRDXMAPSDMI-MUIOLIGRSA-N
MW215.13 g/mol
LogP4.05
Rot. Bonds2

About (3E,5Z)-5-bromo-7,7-dimethylocta-1,3,5-triene

(3E,5Z)-5-bromo-7,7-dimethylocta-1,3,5-triene (PubChem CID 12002581) has the molecular formula C10H15Br and a molecular weight of 215.13 g/mol. Its IUPAC name is (3E,5Z)-5-bromo-7,7-dimethylocta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5Z)-5-bromo-7,7-dimethylocta-1,3,5-triene
PubChem CID12002581
Molecular FormulaC10H15Br
Molecular Weight215.13 g/mol
Exact Mass214.04
IUPAC Name(3E,5Z)-5-bromo-7,7-dimethylocta-1,3,5-triene
SMILESC=C/C=C/C(Br)=C/C(C)(C)C
InChIInChI=1S/C10H15Br/c1-5-6-7-9(11)8-10(2,3)4/h5-8H,1H2,2-4H3/b7-6+,9-8-
InChIKeyNMGZRDXMAPSDMI-MUIOLIGRSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.13
LogP ≤ 54.05
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

6,6-dimethyl-5-methylidenehepta-1,3-diene
CID 72571250
2-bromohexa-1,3,5-triene
CID 91549125
(2Z,3Z)-2-(1-bromoprop-2-enylidene)hexa-3,5-dienal
CID 170124867
(3Z,5E,6E)-5-ethylidene-6-methylocta-1,3,6-triene
CID 155717462
(3Z,5Z)-5-methylhepta-1,3,5-triene;propane
CID 142516353
(3Z)-6,6-dimethyl-5-methylideneocta-1,3-dien-7-yne
CID 143798054
(4Z)-2-methyl-3-methyliminohepta-4,6-dien-2-amine
CID 170583082
(3Z,5E,7E,8Z)-5,7-di(ethylidene)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methyldeca-1,3,8-triene;ethane
CID 143385248
(3Z,5E)-5-(2,3-dimethylbutan-2-yl)octa-1,3,5-triene
CID 145089593
6-bromo-5-methylidenehepta-1,3-diene
CID 123730228
ethane;(3Z,6E)-6-methyl-5-methylideneocta-1,3,6-triene
CID 145268478
ethane;(3Z,5Z)-5-ethylhepta-1,3,5-triene
CID 145142585

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-5-bromo-7,7-dimethylocta-1,3,5-triene?
The IUPAC name of (3E,5Z)-5-bromo-7,7-dimethylocta-1,3,5-triene (CID 12002581) is (3E,5Z)-5-bromo-7,7-dimethylocta-1,3,5-triene.
What is the SMILES notation for (3E,5Z)-5-bromo-7,7-dimethylocta-1,3,5-triene?
The canonical SMILES for (3E,5Z)-5-bromo-7,7-dimethylocta-1,3,5-triene is C=C/C=C/C(Br)=C/C(C)(C)C.
What is the InChIKey of (3E,5Z)-5-bromo-7,7-dimethylocta-1,3,5-triene?
The InChIKey is NMGZRDXMAPSDMI-MUIOLIGRSA-N. The full InChI is InChI=1S/C10H15Br/c1-5-6-7-9(11)8-10(2,3)4/h5-8H,1H2,2-4H3/b7-6+,9-8-.
What are the key properties of (3E,5Z)-5-bromo-7,7-dimethylocta-1,3,5-triene?
(3E,5Z)-5-bromo-7,7-dimethylocta-1,3,5-triene has a molecular weight of 215.13 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-5-bromo-7,7-dimethylocta-1,3,5-triene is sourced from PubChem (CID 12002581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).