10-bromodec-5-enyl acetate

C12H21BrO2 — CID 74052925

IUPAC10-bromodec-5-enyl acetate
SMILESCC(=O)OCCCCC=CCCCCBr
InChIInChI=1S/C12H21BrO2/c1-12(14)15-11-9-7-5-3-2-4-6-8-10-13/h2-3H,4-11H2,1H3
InChIKeyDEERBLKPDLSYHF-UHFFFAOYSA-N
MW277.20 g/mol
LogP3.84
Rot. Bonds9

About 10-bromodec-5-enyl acetate

10-bromodec-5-enyl acetate (PubChem CID 74052925) has the molecular formula C12H21BrO2 and a molecular weight of 277.20 g/mol. Its IUPAC name is 10-bromodec-5-enyl acetate.

Molecular Properties

Compound Name10-bromodec-5-enyl acetate
PubChem CID74052925
Molecular FormulaC12H21BrO2
Molecular Weight277.20 g/mol
Exact Mass276.07
IUPAC Name10-bromodec-5-enyl acetate
SMILESCC(=O)OCCCCC=CCCCCBr
InChIInChI=1S/C12H21BrO2/c1-12(14)15-11-9-7-5-3-2-4-6-8-10-13/h2-3H,4-11H2,1H3
InChIKeyDEERBLKPDLSYHF-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 53.84
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 10-bromodec-5-enyl acetate?
The IUPAC name of 10-bromodec-5-enyl acetate (CID 74052925) is 10-bromodec-5-enyl acetate.
What is the SMILES notation for 10-bromodec-5-enyl acetate?
The canonical SMILES for 10-bromodec-5-enyl acetate is CC(=O)OCCCCC=CCCCCBr.
What is the InChIKey of 10-bromodec-5-enyl acetate?
The InChIKey is DEERBLKPDLSYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrO2/c1-12(14)15-11-9-7-5-3-2-4-6-8-10-13/h2-3H,4-11H2,1H3.
What are the key properties of 10-bromodec-5-enyl acetate?
10-bromodec-5-enyl acetate has a molecular weight of 277.20 g/mol, XLogP of 3.84, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromodec-5-enyl acetate is sourced from PubChem (CID 74052925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).