(3Z)-5-bromo-3-methylhexa-1,3-diene;ethene

C9H15Br — CID 143243230

IUPAC(3Z)-5-bromo-3-methylhexa-1,3-diene;ethene
SMILESC=C.C=C/C(C)=C\C(C)Br
InChIInChI=1S/C7H11Br.C2H4/c1-4-6(2)5-7(3)8;1-2/h4-5,7H,1H2,2-3H3;1-2H2/b6-5-;
InChIKeyAGASVMUPXQBESO-YSMBQZINSA-N
MW203.12 g/mol
LogP3.70
Rot. Bonds2

About (3Z)-5-bromo-3-methylhexa-1,3-diene;ethene

(3Z)-5-bromo-3-methylhexa-1,3-diene;ethene (PubChem CID 143243230) has the molecular formula C9H15Br and a molecular weight of 203.12 g/mol. Its IUPAC name is (3Z)-5-bromo-3-methylhexa-1,3-diene;ethene.

Molecular Properties

Compound Name(3Z)-5-bromo-3-methylhexa-1,3-diene;ethene
PubChem CID143243230
Molecular FormulaC9H15Br
Molecular Weight203.12 g/mol
Exact Mass202.04
IUPAC Name(3Z)-5-bromo-3-methylhexa-1,3-diene;ethene
SMILESC=C.C=C/C(C)=C\C(C)Br
InChIInChI=1S/C7H11Br.C2H4/c1-4-6(2)5-7(3)8;1-2/h4-5,7H,1H2,2-3H3;1-2H2/b6-5-;
InChIKeyAGASVMUPXQBESO-YSMBQZINSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-2,4-dimethylhexa-3,5-dienoic acid
CID 131488033
(3E)-4-methylhexa-3,5-diene-2-sulfonic acid
CID 139630124
(3Z)-3,5,6-trimethylocta-1,3-diene
CID 165141677
(Z)-5-bromo-3-methylhex-3-en-2-one
CID 163966272
(3E)-5-hydroperoxy-3,7-dimethylocta-1,3,6-triene
CID 167216240
ethane;ethene;(3Z)-3-methylhexa-1,3,5-triene
CID 145383595
2-methylbuta-1,3-diene;2-methylpropane
CID 19064095
(3Z,5E)-3,7-dimethylocta-1,3,5-triene
CID 6436632
2-bromo-4-methylhexa-1,3,5-triene
CID 91031136
(3E)-3-methylhexa-1,3,5-triene
CID 5367380
[(1E)-2-methylbuta-1,3-dienyl]phosphane
CID 118945946
2-methylbuta-1,3-dienyl-λ2-plumbane
CID 173091187

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-bromo-3-methylhexa-1,3-diene;ethene?
The IUPAC name of (3Z)-5-bromo-3-methylhexa-1,3-diene;ethene (CID 143243230) is (3Z)-5-bromo-3-methylhexa-1,3-diene;ethene.
What is the SMILES notation for (3Z)-5-bromo-3-methylhexa-1,3-diene;ethene?
The canonical SMILES for (3Z)-5-bromo-3-methylhexa-1,3-diene;ethene is C=C.C=C/C(C)=C\C(C)Br.
What is the InChIKey of (3Z)-5-bromo-3-methylhexa-1,3-diene;ethene?
The InChIKey is AGASVMUPXQBESO-YSMBQZINSA-N. The full InChI is InChI=1S/C7H11Br.C2H4/c1-4-6(2)5-7(3)8;1-2/h4-5,7H,1H2,2-3H3;1-2H2/b6-5-;.
What are the key properties of (3Z)-5-bromo-3-methylhexa-1,3-diene;ethene?
(3Z)-5-bromo-3-methylhexa-1,3-diene;ethene has a molecular weight of 203.12 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-bromo-3-methylhexa-1,3-diene;ethene is sourced from PubChem (CID 143243230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).