(E)-1-bromohex-3-ene

C6H11Br — CID 6537741

IUPAC(E)-1-bromohex-3-ene
SMILESCC/C=C/CCBr
InChIInChI=1S/C6H11Br/c1-2-3-4-5-6-7/h3-4H,2,5-6H2,1H3/b4-3+
InChIKeyHSNATJOWAYTBGM-ONEGZZNKSA-N
MW163.06 g/mol
LogP2.74
Rot. Bonds3

About (E)-1-bromohex-3-ene

(E)-1-bromohex-3-ene (PubChem CID 6537741) has the molecular formula C6H11Br and a molecular weight of 163.06 g/mol. Its IUPAC name is (E)-1-bromohex-3-ene.

Molecular Properties

Compound Name(E)-1-bromohex-3-ene
PubChem CID6537741
Molecular FormulaC6H11Br
Molecular Weight163.06 g/mol
Exact Mass162.00
IUPAC Name(E)-1-bromohex-3-ene
SMILESCC/C=C/CCBr
InChIInChI=1S/C6H11Br/c1-2-3-4-5-6-7/h3-4H,2,5-6H2,1H3/b4-3+
InChIKeyHSNATJOWAYTBGM-ONEGZZNKSA-N
XLogP2.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.06
LogP ≤ 52.74
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'}

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Related Compounds

5-Bromo-2-methyl-2-pentene
CID 137521
1-Bromo-2-pentene, predominantly trans
CID 5463000
5-Bromopent-2-ene
CID 11073580
3-Hexene, 1-bromo-, (3Z)-
CID 6436340
2-Pentene, 3-bromo-
CID 6445110
(2Z)-1-bromopent-2-ene
CID 6110173
1-Bromo-2-hexene
CID 10374753
(E)-4-bromopent-2-ene
CID 5362822
4-Nonene, 1-bromo-, (Z)-
CID 5364487
3-Octene, 1-bromo-, (3E)-
CID 6437045
3-Octene, 1-bromo-, (3Z)-
CID 6437046
1,6-Dibromohex-3-ene
CID 13614245

Frequently Asked Questions

What is the IUPAC name of (E)-1-bromohex-3-ene?
The IUPAC name of (E)-1-bromohex-3-ene (CID 6537741) is (E)-1-bromohex-3-ene.
What is the SMILES notation for (E)-1-bromohex-3-ene?
The canonical SMILES for (E)-1-bromohex-3-ene is CC/C=C/CCBr.
What is the InChIKey of (E)-1-bromohex-3-ene?
The InChIKey is HSNATJOWAYTBGM-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H11Br/c1-2-3-4-5-6-7/h3-4H,2,5-6H2,1H3/b4-3+.
What are the key properties of (E)-1-bromohex-3-ene?
(E)-1-bromohex-3-ene has a molecular weight of 163.06 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-bromohex-3-ene is sourced from PubChem (CID 6537741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).