(E)-2-bromohex-3-ene

C6H11Br — CID 15881334

IUPAC(E)-2-bromohex-3-ene
SMILESCC/C=C/C(C)Br
InChIInChI=1S/C6H11Br/c1-3-4-5-6(2)7/h4-6H,3H2,1-2H3/b5-4+
InChIKeyZTXLEHGBELXWCK-SNAWJCMRSA-N
MW163.06 g/mol
LogP2.74
Rot. Bonds2

About (E)-2-bromohex-3-ene

(E)-2-bromohex-3-ene (PubChem CID 15881334) has the molecular formula C6H11Br and a molecular weight of 163.06 g/mol. Its IUPAC name is (E)-2-bromohex-3-ene.

Molecular Properties

Compound Name(E)-2-bromohex-3-ene
PubChem CID15881334
Molecular FormulaC6H11Br
Molecular Weight163.06 g/mol
Exact Mass162.00
IUPAC Name(E)-2-bromohex-3-ene
SMILESCC/C=C/C(C)Br
InChIInChI=1S/C6H11Br/c1-3-4-5-6(2)7/h4-6H,3H2,1-2H3/b5-4+
InChIKeyZTXLEHGBELXWCK-SNAWJCMRSA-N
XLogP2.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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'}

Analyze (E)-2-bromohex-3-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1,4-dibromopent-2-ene
CID 11183765
(E)-5-bromohept-3-ene
CID 10888461
(E)-2-bromonon-3-ene
CID 88753535
(3Z,7E)-5-bromodeca-3,7-diene
CID 174047229
(Z)-5-methylhept-3-ene
CID 5364727
1-chloropent-2-en-1-ol
CID 141457215
(E)-hex-3-en-2-amine;hydrochloride
CID 55289622
(E,5S)-5,6,6-trimethylhept-3-ene
CID 134979568
(E,3R)-2-methylhept-4-en-3-ol
CID 59911150
(Z)-2-methylhex-3-en-1-ol
CID 15174591
3-methylhept-4-en-2-ol
CID 90779417
hept-4-ene-2,3-diol
CID 54484674

Frequently Asked Questions

What is the IUPAC name of (E)-2-bromohex-3-ene?
The IUPAC name of (E)-2-bromohex-3-ene (CID 15881334) is (E)-2-bromohex-3-ene.
What is the SMILES notation for (E)-2-bromohex-3-ene?
The canonical SMILES for (E)-2-bromohex-3-ene is CC/C=C/C(C)Br.
What is the InChIKey of (E)-2-bromohex-3-ene?
The InChIKey is ZTXLEHGBELXWCK-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H11Br/c1-3-4-5-6(2)7/h4-6H,3H2,1-2H3/b5-4+.
What are the key properties of (E)-2-bromohex-3-ene?
(E)-2-bromohex-3-ene has a molecular weight of 163.06 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-bromohex-3-ene is sourced from PubChem (CID 15881334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).