[(Z)-non-2-enyl] 9-bromononanoate

C18H33BrO2 — CID 168955562

IUPAC[(Z)-non-2-enyl] 9-bromononanoate
SMILESCCCCCC/C=C\COC(=O)CCCCCCCCBr
InChIInChI=1S/C18H33BrO2/c1-2-3-4-5-8-11-14-17-21-18(20)15-12-9-6-7-10-13-16-19/h11,14H,2-10,12-13,15-17H2,1H3/b14-11-
InChIKeyCNVTXJUHGIYRQP-KAMYIIQDSA-N
MW361.36 g/mol
LogP6.18
Rot. Bonds15

About [(Z)-non-2-enyl] 9-bromononanoate

[(Z)-non-2-enyl] 9-bromononanoate (PubChem CID 168955562) has the molecular formula C18H33BrO2 and a molecular weight of 361.36 g/mol. Its IUPAC name is [(Z)-non-2-enyl] 9-bromononanoate.

Molecular Properties

Compound Name[(Z)-non-2-enyl] 9-bromononanoate
PubChem CID168955562
Molecular FormulaC18H33BrO2
Molecular Weight361.36 g/mol
Exact Mass360.17
IUPAC Name[(Z)-non-2-enyl] 9-bromononanoate
SMILESCCCCCC/C=C\COC(=O)CCCCCCCCBr
InChIInChI=1S/C18H33BrO2/c1-2-3-4-5-8-11-14-17-21-18(20)15-12-9-6-7-10-13-16-19/h11,14H,2-10,12-13,15-17H2,1H3/b14-11-
InChIKeyCNVTXJUHGIYRQP-KAMYIIQDSA-N
XLogP6.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.36
LogP ≤ 56.18
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-non-2-enyl] 9-bromononanoate?
The IUPAC name of [(Z)-non-2-enyl] 9-bromononanoate (CID 168955562) is [(Z)-non-2-enyl] 9-bromononanoate.
What is the SMILES notation for [(Z)-non-2-enyl] 9-bromononanoate?
The canonical SMILES for [(Z)-non-2-enyl] 9-bromononanoate is CCCCCC/C=C\COC(=O)CCCCCCCCBr.
What is the InChIKey of [(Z)-non-2-enyl] 9-bromononanoate?
The InChIKey is CNVTXJUHGIYRQP-KAMYIIQDSA-N. The full InChI is InChI=1S/C18H33BrO2/c1-2-3-4-5-8-11-14-17-21-18(20)15-12-9-6-7-10-13-16-19/h11,14H,2-10,12-13,15-17H2,1H3/b14-11-.
What are the key properties of [(Z)-non-2-enyl] 9-bromononanoate?
[(Z)-non-2-enyl] 9-bromononanoate has a molecular weight of 361.36 g/mol, XLogP of 6.18, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-non-2-enyl] 9-bromononanoate is sourced from PubChem (CID 168955562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).