6-(5-carboxypentylselanyl)hexanoic acid

C12H22O4Se — CID 549581

IUPAC6-(5-carboxypentylselanyl)hexanoic acid
SMILESO=C(O)CCCCC[Se]CCCCCC(=O)O
InChIInChI=1S/C12H22O4Se/c13-11(14)7-3-1-5-9-17-10-6-2-4-8-12(15)16/h1-10H2,(H,13,14)(H,15,16)
InChIKeyISFYAALFICBIHA-UHFFFAOYSA-N
MW309.26 g/mol
LogP2.82
Rot. Bonds12

About 6-(5-carboxypentylselanyl)hexanoic acid

6-(5-carboxypentylselanyl)hexanoic acid (PubChem CID 549581) has the molecular formula C12H22O4Se and a molecular weight of 309.26 g/mol. Its IUPAC name is 6-(5-carboxypentylselanyl)hexanoic acid.

Molecular Properties

Compound Name6-(5-carboxypentylselanyl)hexanoic acid
PubChem CID549581
Molecular FormulaC12H22O4Se
Molecular Weight309.26 g/mol
Exact Mass310.07
IUPAC Name6-(5-carboxypentylselanyl)hexanoic acid
SMILESO=C(O)CCCCC[Se]CCCCCC(=O)O
InChIInChI=1S/C12H22O4Se/c13-11(14)7-3-1-5-9-17-10-6-2-4-8-12(15)16/h1-10H2,(H,13,14)(H,15,16)
InChIKeyISFYAALFICBIHA-UHFFFAOYSA-N
XLogP2.82
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.26
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

11-(10-carboxydecyldiselanyl)undecanoic acid
CID 134882281
9-(8-carboxyoctyldiselanyl)nonanoic acid
CID 543395
tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid
CID 157217252

Frequently Asked Questions

What is the IUPAC name of 6-(5-carboxypentylselanyl)hexanoic acid?
The IUPAC name of 6-(5-carboxypentylselanyl)hexanoic acid (CID 549581) is 6-(5-carboxypentylselanyl)hexanoic acid.
What is the SMILES notation for 6-(5-carboxypentylselanyl)hexanoic acid?
The canonical SMILES for 6-(5-carboxypentylselanyl)hexanoic acid is O=C(O)CCCCC[Se]CCCCCC(=O)O.
What is the InChIKey of 6-(5-carboxypentylselanyl)hexanoic acid?
The InChIKey is ISFYAALFICBIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4Se/c13-11(14)7-3-1-5-9-17-10-6-2-4-8-12(15)16/h1-10H2,(H,13,14)(H,15,16).
What are the key properties of 6-(5-carboxypentylselanyl)hexanoic acid?
6-(5-carboxypentylselanyl)hexanoic acid has a molecular weight of 309.26 g/mol, XLogP of 2.82, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-carboxypentylselanyl)hexanoic acid is sourced from PubChem (CID 549581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).