(3E)-3-(bromomethyl)penta-1,3-diene;ethene

C8H13Br — CID 145426536

IUPAC(3E)-3-(bromomethyl)penta-1,3-diene;ethene
SMILESC=C.C=C/C(=C\C)CBr
InChIInChI=1S/C6H9Br.C2H4/c1-3-6(4-2)5-7;1-2/h3-4H,1,5H2,2H3;1-2H2/b6-4+;
InChIKeyRRUKBKZDDSHMPK-CVDVRWGVSA-N
MW189.10 g/mol
LogP3.32
Rot. Bonds2

About (3E)-3-(bromomethyl)penta-1,3-diene;ethene

(3E)-3-(bromomethyl)penta-1,3-diene;ethene (PubChem CID 145426536) has the molecular formula C8H13Br and a molecular weight of 189.10 g/mol. Its IUPAC name is (3E)-3-(bromomethyl)penta-1,3-diene;ethene.

Molecular Properties

Compound Name(3E)-3-(bromomethyl)penta-1,3-diene;ethene
PubChem CID145426536
Molecular FormulaC8H13Br
Molecular Weight189.10 g/mol
Exact Mass188.02
IUPAC Name(3E)-3-(bromomethyl)penta-1,3-diene;ethene
SMILESC=C.C=C/C(=C\C)CBr
InChIInChI=1S/C6H9Br.C2H4/c1-3-6(4-2)5-7;1-2/h3-4H,1,5H2,2H3;1-2H2/b6-4+;
InChIKeyRRUKBKZDDSHMPK-CVDVRWGVSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.10
LogP ≤ 53.32
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

ethene;(E)-2-ethenylbut-2-en-1-ol
CID 142149332
(3E)-3-(2-bromoethoxymethyl)penta-1,3-diene;ethene
CID 177023060
(3E)-3-(chloromethyl)penta-1,3-diene;ethane;prop-1-ene
CID 144532054
ethane;ethene;(Z)-4-ethenylhex-4-enoic acid
CID 177225786
ethane;ethene;(Z)-3-ethenyl-N-methylpent-3-en-1-amine
CID 142873485
ethene;(E)-2-ethenyl-N-methylbut-2-en-1-amine
CID 143499023
(E)-2-ethenylbut-2-en-1-amine
CID 142131613
4-ethenylhexa-1,4-diene
CID 85441048
(Z)-2-(bromomethyl)but-2-enal
CID 89046052
ethane;(3E)-3-ethylidenehex-1-ene;propane;propylphosphane
CID 143343159
3-ethylideneoct-1-ene
CID 91511297
ethane;ethene;1-[(E)-2-ethenylbut-2-enyl]-4-methylpiperidine
CID 143302699

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(bromomethyl)penta-1,3-diene;ethene?
The IUPAC name of (3E)-3-(bromomethyl)penta-1,3-diene;ethene (CID 145426536) is (3E)-3-(bromomethyl)penta-1,3-diene;ethene.
What is the SMILES notation for (3E)-3-(bromomethyl)penta-1,3-diene;ethene?
The canonical SMILES for (3E)-3-(bromomethyl)penta-1,3-diene;ethene is C=C.C=C/C(=C\C)CBr.
What is the InChIKey of (3E)-3-(bromomethyl)penta-1,3-diene;ethene?
The InChIKey is RRUKBKZDDSHMPK-CVDVRWGVSA-N. The full InChI is InChI=1S/C6H9Br.C2H4/c1-3-6(4-2)5-7;1-2/h3-4H,1,5H2,2H3;1-2H2/b6-4+;.
What are the key properties of (3E)-3-(bromomethyl)penta-1,3-diene;ethene?
(3E)-3-(bromomethyl)penta-1,3-diene;ethene has a molecular weight of 189.10 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(bromomethyl)penta-1,3-diene;ethene is sourced from PubChem (CID 145426536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).