O-ethyl 5-bromopentaneselenoate

C7H13BrOSe — CID 14981253

IUPACO-ethyl 5-bromopentaneselenoate
SMILESCCOC(=[Se])CCCCBr
InChIInChI=1S/C7H13BrOSe/c1-2-9-7(10)5-3-4-6-8/h2-6H2,1H3
InChIKeyVADJVPWSTMGSEW-UHFFFAOYSA-N
MW272.04 g/mol
LogP1.89
Rot. Bonds6

About O-ethyl 5-bromopentaneselenoate

O-ethyl 5-bromopentaneselenoate (PubChem CID 14981253) has the molecular formula C7H13BrOSe and a molecular weight of 272.04 g/mol. Its IUPAC name is O-ethyl 5-bromopentaneselenoate.

Molecular Properties

Compound NameO-ethyl 5-bromopentaneselenoate
PubChem CID14981253
Molecular FormulaC7H13BrOSe
Molecular Weight272.04 g/mol
Exact Mass271.93
IUPAC NameO-ethyl 5-bromopentaneselenoate
SMILESCCOC(=[Se])CCCCBr
InChIInChI=1S/C7H13BrOSe/c1-2-9-7(10)5-3-4-6-8/h2-6H2,1H3
InChIKeyVADJVPWSTMGSEW-UHFFFAOYSA-N
XLogP1.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.04
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Bromo-5-methoxypentane
CID 542342
Pentane, 2-bromo-1-methoxy
CID 524020
1-Bromo-5-ethoxypentane
CID 10878050
1-(4-Bromobutoxy)pentane
CID 13574764
1-(2-Bromoethoxy)pentane
CID 20508525
1-(3-Bromopropoxy)pentane
CID 43275109
4-Bromo-1-methoxypentane
CID 61733506
1-Bromo-5-propoxypentane
CID 64203350
1-Bromo-5-butoxypentane
CID 64203352
1-Bromo-5-pentoxypentane
CID 64203353
1-Bromo-1-methoxypentane
CID 87647399
3-Bromo-1-methoxypentane
CID 129921157

Frequently Asked Questions

What is the IUPAC name of O-ethyl 5-bromopentaneselenoate?
The IUPAC name of O-ethyl 5-bromopentaneselenoate (CID 14981253) is O-ethyl 5-bromopentaneselenoate.
What is the SMILES notation for O-ethyl 5-bromopentaneselenoate?
The canonical SMILES for O-ethyl 5-bromopentaneselenoate is CCOC(=[Se])CCCCBr.
What is the InChIKey of O-ethyl 5-bromopentaneselenoate?
The InChIKey is VADJVPWSTMGSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrOSe/c1-2-9-7(10)5-3-4-6-8/h2-6H2,1H3.
What are the key properties of O-ethyl 5-bromopentaneselenoate?
O-ethyl 5-bromopentaneselenoate has a molecular weight of 272.04 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for O-ethyl 5-bromopentaneselenoate is sourced from PubChem (CID 14981253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).