cyclohexyl 2-(2-bromoacetyl)oxyacetate

C10H15BrO4 — CID 87180196

IUPACcyclohexyl 2-(2-bromoacetyl)oxyacetate
SMILESO=C(CBr)OCC(=O)OC1CCCCC1
InChIInChI=1S/C10H15BrO4/c11-6-9(12)14-7-10(13)15-8-4-2-1-3-5-8/h8H,1-7H2
InChIKeyQDYWVEOCQSNOFQ-UHFFFAOYSA-N
MW279.13 g/mol
LogP1.80
Rot. Bonds4

About cyclohexyl 2-(2-bromoacetyl)oxyacetate

cyclohexyl 2-(2-bromoacetyl)oxyacetate (PubChem CID 87180196) has the molecular formula C10H15BrO4 and a molecular weight of 279.13 g/mol. Its IUPAC name is cyclohexyl 2-(2-bromoacetyl)oxyacetate.

Molecular Properties

Compound Namecyclohexyl 2-(2-bromoacetyl)oxyacetate
PubChem CID87180196
Molecular FormulaC10H15BrO4
Molecular Weight279.13 g/mol
Exact Mass278.02
IUPAC Namecyclohexyl 2-(2-bromoacetyl)oxyacetate
SMILESO=C(CBr)OCC(=O)OC1CCCCC1
InChIInChI=1S/C10H15BrO4/c11-6-9(12)14-7-10(13)15-8-4-2-1-3-5-8/h8H,1-7H2
InChIKeyQDYWVEOCQSNOFQ-UHFFFAOYSA-N
XLogP1.80
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(2-bromoacetyl)oxyacetate?
The IUPAC name of cyclohexyl 2-(2-bromoacetyl)oxyacetate (CID 87180196) is cyclohexyl 2-(2-bromoacetyl)oxyacetate.
What is the SMILES notation for cyclohexyl 2-(2-bromoacetyl)oxyacetate?
The canonical SMILES for cyclohexyl 2-(2-bromoacetyl)oxyacetate is O=C(CBr)OCC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-(2-bromoacetyl)oxyacetate?
The InChIKey is QDYWVEOCQSNOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrO4/c11-6-9(12)14-7-10(13)15-8-4-2-1-3-5-8/h8H,1-7H2.
What are the key properties of cyclohexyl 2-(2-bromoacetyl)oxyacetate?
cyclohexyl 2-(2-bromoacetyl)oxyacetate has a molecular weight of 279.13 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(2-bromoacetyl)oxyacetate is sourced from PubChem (CID 87180196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).