cyclopentyl 6-bromohexanoate

C11H19BrO2 — CID 550489

IUPACcyclopentyl 6-bromohexanoate
SMILESO=C(CCCCCBr)OC1CCCC1
InChIInChI=1S/C11H19BrO2/c12-9-5-1-2-8-11(13)14-10-6-3-4-7-10/h10H,1-9H2
InChIKeyWBZLXJRICKKLCU-UHFFFAOYSA-N
MW263.17 g/mol
LogP3.43
Rot. Bonds6

About cyclopentyl 6-bromohexanoate

cyclopentyl 6-bromohexanoate (PubChem CID 550489) has the molecular formula C11H19BrO2 and a molecular weight of 263.17 g/mol. Its IUPAC name is cyclopentyl 6-bromohexanoate.

Molecular Properties

Compound Namecyclopentyl 6-bromohexanoate
PubChem CID550489
Molecular FormulaC11H19BrO2
Molecular Weight263.17 g/mol
Exact Mass262.06
IUPAC Namecyclopentyl 6-bromohexanoate
SMILESO=C(CCCCCBr)OC1CCCC1
InChIInChI=1S/C11H19BrO2/c12-9-5-1-2-8-11(13)14-10-6-3-4-7-10/h10H,1-9H2
InChIKeyWBZLXJRICKKLCU-UHFFFAOYSA-N
XLogP3.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclopentadecyl 8-bromooctanoate
CID 171623648
cyclobutyl 4-bromobutanoate
CID 591081
dicyclohexyl pentanedioate
CID 15593941
6-cyclohexyloxy-6-oxohexanoic acid
CID 175099277
cyclooctyl 7-aminoheptanoate
CID 21259475
cyclohexyl 6-cyclohexyloxy-6-sulfanylidenehexanoate
CID 155253391
cyclobutyl pentadecanoate
CID 46229794
cyclopentyl 4-aminooxybutanoate
CID 145423732
cyclohexyl 8-cyanooctanoate
CID 154185213
cycloheptyl 6-ethoxyhexanoate
CID 134561724
cyclohexyl 6-propoxyhexanoate
CID 134561647
cyclohexyl 5-ethenoxypentanoate
CID 57037035

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 6-bromohexanoate?
The IUPAC name of cyclopentyl 6-bromohexanoate (CID 550489) is cyclopentyl 6-bromohexanoate.
What is the SMILES notation for cyclopentyl 6-bromohexanoate?
The canonical SMILES for cyclopentyl 6-bromohexanoate is O=C(CCCCCBr)OC1CCCC1.
What is the InChIKey of cyclopentyl 6-bromohexanoate?
The InChIKey is WBZLXJRICKKLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrO2/c12-9-5-1-2-8-11(13)14-10-6-3-4-7-10/h10H,1-9H2.
What are the key properties of cyclopentyl 6-bromohexanoate?
cyclopentyl 6-bromohexanoate has a molecular weight of 263.17 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 6-bromohexanoate is sourced from PubChem (CID 550489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).