11-(10-carboxydecyldiselanyl)undecanoic acid

C22H42O4Se2 — CID 134882281

IUPAC11-(10-carboxydecyldiselanyl)undecanoic acid
SMILESO=C(O)CCCCCCCCCC[Se][Se]CCCCCCCCCCC(=O)O
InChIInChI=1S/C22H42O4Se2/c23-21(24)17-13-9-5-1-3-7-11-15-19-27-28-20-16-12-8-4-2-6-10-14-18-22(25)26/h1-20H2,(H,23,24)(H,25,26)
InChIKeyBPTLBAXCYWELLB-UHFFFAOYSA-N
MW528.49 g/mol
LogP6.34
Rot. Bonds23

About 11-(10-carboxydecyldiselanyl)undecanoic acid

11-(10-carboxydecyldiselanyl)undecanoic acid (PubChem CID 134882281) has the molecular formula C22H42O4Se2 and a molecular weight of 528.49 g/mol. Its IUPAC name is 11-(10-carboxydecyldiselanyl)undecanoic acid.

Molecular Properties

Compound Name11-(10-carboxydecyldiselanyl)undecanoic acid
PubChem CID134882281
Molecular FormulaC22H42O4Se2
Molecular Weight528.49 g/mol
Exact Mass530.14
IUPAC Name11-(10-carboxydecyldiselanyl)undecanoic acid
SMILESO=C(O)CCCCCCCCCC[Se][Se]CCCCCCCCCCC(=O)O
InChIInChI=1S/C22H42O4Se2/c23-21(24)17-13-9-5-1-3-7-11-15-19-27-28-20-16-12-8-4-2-6-10-14-18-22(25)26/h1-20H2,(H,23,24)(H,25,26)
InChIKeyBPTLBAXCYWELLB-UHFFFAOYSA-N
XLogP6.34
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.49
LogP ≤ 56.34
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

9-(8-carboxyoctyldiselanyl)nonanoic acid
CID 543395
6-(5-carboxypentylselanyl)hexanoic acid
CID 549581
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
7-[(7-ethoxy-7-oxoheptyl)diselanyl]heptanoic acid
CID 155670667

Frequently Asked Questions

What is the IUPAC name of 11-(10-carboxydecyldiselanyl)undecanoic acid?
The IUPAC name of 11-(10-carboxydecyldiselanyl)undecanoic acid (CID 134882281) is 11-(10-carboxydecyldiselanyl)undecanoic acid.
What is the SMILES notation for 11-(10-carboxydecyldiselanyl)undecanoic acid?
The canonical SMILES for 11-(10-carboxydecyldiselanyl)undecanoic acid is O=C(O)CCCCCCCCCC[Se][Se]CCCCCCCCCCC(=O)O.
What is the InChIKey of 11-(10-carboxydecyldiselanyl)undecanoic acid?
The InChIKey is BPTLBAXCYWELLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O4Se2/c23-21(24)17-13-9-5-1-3-7-11-15-19-27-28-20-16-12-8-4-2-6-10-14-18-22(25)26/h1-20H2,(H,23,24)(H,25,26).
What are the key properties of 11-(10-carboxydecyldiselanyl)undecanoic acid?
11-(10-carboxydecyldiselanyl)undecanoic acid has a molecular weight of 528.49 g/mol, XLogP of 6.34, 23 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(10-carboxydecyldiselanyl)undecanoic acid is sourced from PubChem (CID 134882281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).