(E)-1,3-dibromobut-2-ene

C4H6Br2 — CID 11117390

IUPAC(E)-1,3-dibromobut-2-ene
SMILESC/C(Br)=C\CBr
InChIInChI=1S/C4H6Br2/c1-4(6)2-3-5/h2H,3H2,1H3/b4-2+
InChIKeyCXCKBPHWDONPBF-DUXPYHPUSA-N
MW213.90 g/mol
LogP2.68
Rot. Bonds1

About (E)-1,3-dibromobut-2-ene

(E)-1,3-dibromobut-2-ene (PubChem CID 11117390) has the molecular formula C4H6Br2 and a molecular weight of 213.90 g/mol. Its IUPAC name is (E)-1,3-dibromobut-2-ene.

Molecular Properties

Compound Name(E)-1,3-dibromobut-2-ene
PubChem CID11117390
Molecular FormulaC4H6Br2
Molecular Weight213.90 g/mol
Exact Mass211.88
IUPAC Name(E)-1,3-dibromobut-2-ene
SMILESC/C(Br)=C\CBr
InChIInChI=1S/C4H6Br2/c1-4(6)2-3-5/h2H,3H2,1H3/b4-2+
InChIKeyCXCKBPHWDONPBF-DUXPYHPUSA-N
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.90
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-bromo-6-methylhepta-2,5-diene
CID 177405948
(2E)-2-bromo-6-methylhepta-2,5-diene
CID 10899422
1,3-dibromopent-2-ene
CID 53427811
5-bromohexa-1,4-diene
CID 173459747
(Z)-1,3-dibromo-4-methylpent-2-ene
CID 11064563
4-bromo-1,1,1-trifluoro-2-methylbut-2-ene
CID 54541148
[(Z)-3-bromobut-2-enyl] formate
CID 173084434
2-bromoprop-1-en-1-ol
CID 71347780
(Z)-1-bromo-3-chloropent-2-ene
CID 131863334
(1,4-dibromo-2-methylbut-2-enyl)-trimethylazanium bromide
CID 71409111
(2E,4E)-4,6-dibromo-N-methylhexa-2,4-dien-3-amine
CID 142852445
(E)-5-bromohex-4-enethioamide
CID 131980979

Frequently Asked Questions

What is the IUPAC name of (E)-1,3-dibromobut-2-ene?
The IUPAC name of (E)-1,3-dibromobut-2-ene (CID 11117390) is (E)-1,3-dibromobut-2-ene.
What is the SMILES notation for (E)-1,3-dibromobut-2-ene?
The canonical SMILES for (E)-1,3-dibromobut-2-ene is C/C(Br)=C\CBr.
What is the InChIKey of (E)-1,3-dibromobut-2-ene?
The InChIKey is CXCKBPHWDONPBF-DUXPYHPUSA-N. The full InChI is InChI=1S/C4H6Br2/c1-4(6)2-3-5/h2H,3H2,1H3/b4-2+.
What are the key properties of (E)-1,3-dibromobut-2-ene?
(E)-1,3-dibromobut-2-ene has a molecular weight of 213.90 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,3-dibromobut-2-ene is sourced from PubChem (CID 11117390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).