cyclohex-2-en-1-yl 2-bromoacetate

C8H11BrO2 — CID 19369036

IUPACcyclohex-2-en-1-yl 2-bromoacetate
SMILESO=C(CBr)OC1C=CCCC1
InChIInChI=1S/C8H11BrO2/c9-6-8(10)11-7-4-2-1-3-5-7/h2,4,7H,1,3,5-6H2
InChIKeyLGKVFFNZUCKSFW-UHFFFAOYSA-N
MW219.08 g/mol
LogP2.03
Rot. Bonds2

About cyclohex-2-en-1-yl 2-bromoacetate

cyclohex-2-en-1-yl 2-bromoacetate (PubChem CID 19369036) has the molecular formula C8H11BrO2 and a molecular weight of 219.08 g/mol. Its IUPAC name is cyclohex-2-en-1-yl 2-bromoacetate.

Molecular Properties

Compound Namecyclohex-2-en-1-yl 2-bromoacetate
PubChem CID19369036
Molecular FormulaC8H11BrO2
Molecular Weight219.08 g/mol
Exact Mass217.99
IUPAC Namecyclohex-2-en-1-yl 2-bromoacetate
SMILESO=C(CBr)OC1C=CCCC1
InChIInChI=1S/C8H11BrO2/c9-6-8(10)11-7-4-2-1-3-5-7/h2,4,7H,1,3,5-6H2
InChIKeyLGKVFFNZUCKSFW-UHFFFAOYSA-N
XLogP2.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.08
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohex-2-en-1-yl 2-bromoacetate?
The IUPAC name of cyclohex-2-en-1-yl 2-bromoacetate (CID 19369036) is cyclohex-2-en-1-yl 2-bromoacetate.
What is the SMILES notation for cyclohex-2-en-1-yl 2-bromoacetate?
The canonical SMILES for cyclohex-2-en-1-yl 2-bromoacetate is O=C(CBr)OC1C=CCCC1.
What is the InChIKey of cyclohex-2-en-1-yl 2-bromoacetate?
The InChIKey is LGKVFFNZUCKSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrO2/c9-6-8(10)11-7-4-2-1-3-5-7/h2,4,7H,1,3,5-6H2.
What are the key properties of cyclohex-2-en-1-yl 2-bromoacetate?
cyclohex-2-en-1-yl 2-bromoacetate has a molecular weight of 219.08 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-yl 2-bromoacetate is sourced from PubChem (CID 19369036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).