4-(2-bromoethyl)cyclohexene

C8H13Br — CID 557023

IUPAC4-(2-bromoethyl)cyclohexene
SMILESBrCCC1CC=CCC1
InChIInChI=1S/C8H13Br/c9-7-6-8-4-2-1-3-5-8/h1-2,8H,3-7H2
InChIKeyAJDCCNQUNLJJJB-UHFFFAOYSA-N
MW189.10 g/mol
LogP3.13
Rot. Bonds2

About 4-(2-bromoethyl)cyclohexene

4-(2-bromoethyl)cyclohexene (PubChem CID 557023) has the molecular formula C8H13Br and a molecular weight of 189.10 g/mol. Its IUPAC name is 4-(2-bromoethyl)cyclohexene.

Molecular Properties

Compound Name4-(2-bromoethyl)cyclohexene
PubChem CID557023
Molecular FormulaC8H13Br
Molecular Weight189.10 g/mol
Exact Mass188.02
IUPAC Name4-(2-bromoethyl)cyclohexene
SMILESBrCCC1CC=CCC1
InChIInChI=1S/C8H13Br/c9-7-6-8-4-2-1-3-5-8/h1-2,8H,3-7H2
InChIKeyAJDCCNQUNLJJJB-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
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

4-Vinyl-1-cyclohexene
CID 7499
3-(Bromomethyl)cyclohexene
CID 36936
3-(Bromomethyl)cyclopent-1-ene
CID 549025
(S)-(+)-Citronellyl bromide
CID 10900106
(R)-(-)-Citronellyl bromide
CID 11042221
5-(Bromomethyl)cyclooct-1-ene
CID 13865701
(4S)-4-ethenylcyclohexene
CID 638078
5-(Bromomethyl)cyclohept-1-ene
CID 13865699
3-(2-Bromoethyl)cyclopent-1-ene
CID 12658866
3-(2-Bromoethyl)cyclohex-1-ene
CID 12924594
(3-Bromoprop-1-en-1-yl)cyclohexane
CID 15752625
1-Bromo-4-methylcyclohex-1-ene
CID 527571

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethyl)cyclohexene?
The IUPAC name of 4-(2-bromoethyl)cyclohexene (CID 557023) is 4-(2-bromoethyl)cyclohexene.
What is the SMILES notation for 4-(2-bromoethyl)cyclohexene?
The canonical SMILES for 4-(2-bromoethyl)cyclohexene is BrCCC1CC=CCC1.
What is the InChIKey of 4-(2-bromoethyl)cyclohexene?
The InChIKey is AJDCCNQUNLJJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Br/c9-7-6-8-4-2-1-3-5-8/h1-2,8H,3-7H2.
What are the key properties of 4-(2-bromoethyl)cyclohexene?
4-(2-bromoethyl)cyclohexene has a molecular weight of 189.10 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethyl)cyclohexene is sourced from PubChem (CID 557023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).