cyclopentadecyl 8-bromooctanoate

C23H43BrO2 — CID 171623648

IUPACcyclopentadecyl 8-bromooctanoate
SMILESO=C(CCCCCCCBr)OC1CCCCCCCCCCCCCC1
InChIInChI=1S/C23H43BrO2/c24-21-17-13-9-12-16-20-23(25)26-22-18-14-10-7-5-3-1-2-4-6-8-11-15-19-22/h22H,1-21H2
InChIKeyUICQSXWUSIKBIK-UHFFFAOYSA-N
MW431.50 g/mol
LogP8.11
Rot. Bonds8

About cyclopentadecyl 8-bromooctanoate

cyclopentadecyl 8-bromooctanoate (PubChem CID 171623648) has the molecular formula C23H43BrO2 and a molecular weight of 431.50 g/mol. Its IUPAC name is cyclopentadecyl 8-bromooctanoate.

Molecular Properties

Compound Namecyclopentadecyl 8-bromooctanoate
PubChem CID171623648
Molecular FormulaC23H43BrO2
Molecular Weight431.50 g/mol
Exact Mass430.24
IUPAC Namecyclopentadecyl 8-bromooctanoate
SMILESO=C(CCCCCCCBr)OC1CCCCCCCCCCCCCC1
InChIInChI=1S/C23H43BrO2/c24-21-17-13-9-12-16-20-23(25)26-22-18-14-10-7-5-3-1-2-4-6-8-11-15-19-22/h22H,1-21H2
InChIKeyUICQSXWUSIKBIK-UHFFFAOYSA-N
XLogP8.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.50
LogP ≤ 58.11
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'}

Analyze cyclopentadecyl 8-bromooctanoate 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

cyclopentyl 6-bromohexanoate
CID 550489
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
cyclohexyl 8-cyanooctanoate
CID 154185213
cycloheptyl 6-ethoxyhexanoate
CID 134561724
cyclohexyl 6-propoxyhexanoate
CID 134561647
cyclobutyl pentadecanoate
CID 46229794
cyclohexyl 5-ethenoxypentanoate
CID 57037035
cyclopentyl 4-aminooxybutanoate
CID 145423732

Frequently Asked Questions

What is the IUPAC name of cyclopentadecyl 8-bromooctanoate?
The IUPAC name of cyclopentadecyl 8-bromooctanoate (CID 171623648) is cyclopentadecyl 8-bromooctanoate.
What is the SMILES notation for cyclopentadecyl 8-bromooctanoate?
The canonical SMILES for cyclopentadecyl 8-bromooctanoate is O=C(CCCCCCCBr)OC1CCCCCCCCCCCCCC1.
What is the InChIKey of cyclopentadecyl 8-bromooctanoate?
The InChIKey is UICQSXWUSIKBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43BrO2/c24-21-17-13-9-12-16-20-23(25)26-22-18-14-10-7-5-3-1-2-4-6-8-11-15-19-22/h22H,1-21H2.
What are the key properties of cyclopentadecyl 8-bromooctanoate?
cyclopentadecyl 8-bromooctanoate has a molecular weight of 431.50 g/mol, XLogP of 8.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentadecyl 8-bromooctanoate is sourced from PubChem (CID 171623648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).