(3Z,5E)-5-bromo-3-methylhepta-1,3,5-triene

C8H11Br — CID 143591783

IUPAC(3Z,5E)-5-bromo-3-methylhepta-1,3,5-triene
SMILESC=C/C(C)=C\C(Br)=C/C
InChIInChI=1S/C8H11Br/c1-4-7(3)6-8(9)5-2/h4-6H,1H2,2-3H3/b7-6-,8-5+
InChIKeyHRHRPSBFDJRRLJ-WNXMRAAYSA-N
MW187.08 g/mol
LogP3.42
Rot. Bonds2

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

(3Z,5E)-5-bromo-3-methylhepta-1,3,5-triene (PubChem CID 143591783) has the molecular formula C8H11Br and a molecular weight of 187.08 g/mol. Its IUPAC name is (3Z,5E)-5-bromo-3-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-5-bromo-3-methylhepta-1,3,5-triene
PubChem CID143591783
Molecular FormulaC8H11Br
Molecular Weight187.08 g/mol
Exact Mass186.00
IUPAC Name(3Z,5E)-5-bromo-3-methylhepta-1,3,5-triene
SMILESC=C/C(C)=C\C(Br)=C/C
InChIInChI=1S/C8H11Br/c1-4-7(3)6-8(9)5-2/h4-6H,1H2,2-3H3/b7-6-,8-5+
InChIKeyHRHRPSBFDJRRLJ-WNXMRAAYSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.08
LogP ≤ 53.42
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

2-bromo-4-methylhexa-1,3,5-triene
CID 91031136
ethane;(3Z)-3-methylpenta-1,3-diene;propane
CID 143719744
(2Z,4Z)-4-bromo-N-ethyl-2-methylhexa-2,4-dien-1-imine
CID 166661835
(3Z,5E)-5-ethoxy-3-methylhepta-1,3,5-triene
CID 131995054
2-bromo-4-methylhexa-2,4-diene
CID 76702782
(3Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-3-methylnona-1,3,5,7-tetraene
CID 143450830
ethane;(3Z,5E)-3-methyl-5-propan-2-yloxyhepta-1,3,5-triene
CID 162765220
(3E,5Z)-3-bromo-5-methylocta-1,3,5,7-tetraene;ethane
CID 144847010
N-(5-bromo-3-methylhepta-1,3,5-trien-2-yl)prop-2-en-1-imine
CID 123788081
(Z)-but-2-ene;(3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraene
CID 163402506
N-[(4Z)-2,5-dimethylhepta-2,4,6-trien-3-yl]ethanimine
CID 166650843
(1E,3Z)-2-chloro-4-methylhexa-1,3,5-trien-1-amine
CID 89145510

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-bromo-3-methylhepta-1,3,5-triene?
The IUPAC name of (3Z,5E)-5-bromo-3-methylhepta-1,3,5-triene (CID 143591783) is (3Z,5E)-5-bromo-3-methylhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-5-bromo-3-methylhepta-1,3,5-triene?
The canonical SMILES for (3Z,5E)-5-bromo-3-methylhepta-1,3,5-triene is C=C/C(C)=C\C(Br)=C/C.
What is the InChIKey of (3Z,5E)-5-bromo-3-methylhepta-1,3,5-triene?
The InChIKey is HRHRPSBFDJRRLJ-WNXMRAAYSA-N. The full InChI is InChI=1S/C8H11Br/c1-4-7(3)6-8(9)5-2/h4-6H,1H2,2-3H3/b7-6-,8-5+.
What are the key properties of (3Z,5E)-5-bromo-3-methylhepta-1,3,5-triene?
(3Z,5E)-5-bromo-3-methylhepta-1,3,5-triene has a molecular weight of 187.08 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-bromo-3-methylhepta-1,3,5-triene is sourced from PubChem (CID 143591783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).