9-(8-carboxyoctyldiselanyl)nonanoic acid

C18H34O4Se2 — CID 543395

IUPAC9-(8-carboxyoctyldiselanyl)nonanoic acid
SMILESO=C(O)CCCCCCCC[Se][Se]CCCCCCCCC(=O)O
InChIInChI=1S/C18H34O4Se2/c19-17(20)13-9-5-1-3-7-11-15-23-24-16-12-8-4-2-6-10-14-18(21)22/h1-16H2,(H,19,20)(H,21,22)
InChIKeyGHXHOXUODAOGOT-UHFFFAOYSA-N
MW472.39 g/mol
LogP4.78
Rot. Bonds19

About 9-(8-carboxyoctyldiselanyl)nonanoic acid

9-(8-carboxyoctyldiselanyl)nonanoic acid (PubChem CID 543395) has the molecular formula C18H34O4Se2 and a molecular weight of 472.39 g/mol. Its IUPAC name is 9-(8-carboxyoctyldiselanyl)nonanoic acid.

Molecular Properties

Compound Name9-(8-carboxyoctyldiselanyl)nonanoic acid
PubChem CID543395
Molecular FormulaC18H34O4Se2
Molecular Weight472.39 g/mol
Exact Mass474.08
IUPAC Name9-(8-carboxyoctyldiselanyl)nonanoic acid
SMILESO=C(O)CCCCCCCC[Se][Se]CCCCCCCCC(=O)O
InChIInChI=1S/C18H34O4Se2/c19-17(20)13-9-5-1-3-7-11-15-23-24-16-12-8-4-2-6-10-14-18(21)22/h1-16H2,(H,19,20)(H,21,22)
InChIKeyGHXHOXUODAOGOT-UHFFFAOYSA-N
XLogP4.78
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.39
LogP ≤ 54.78
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'}

Analyze 9-(8-carboxyoctyldiselanyl)nonanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-(10-carboxydecyldiselanyl)undecanoic acid
CID 134882281
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 9-(8-carboxyoctyldiselanyl)nonanoic acid?
The IUPAC name of 9-(8-carboxyoctyldiselanyl)nonanoic acid (CID 543395) is 9-(8-carboxyoctyldiselanyl)nonanoic acid.
What is the SMILES notation for 9-(8-carboxyoctyldiselanyl)nonanoic acid?
The canonical SMILES for 9-(8-carboxyoctyldiselanyl)nonanoic acid is O=C(O)CCCCCCCC[Se][Se]CCCCCCCCC(=O)O.
What is the InChIKey of 9-(8-carboxyoctyldiselanyl)nonanoic acid?
The InChIKey is GHXHOXUODAOGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O4Se2/c19-17(20)13-9-5-1-3-7-11-15-23-24-16-12-8-4-2-6-10-14-18(21)22/h1-16H2,(H,19,20)(H,21,22).
What are the key properties of 9-(8-carboxyoctyldiselanyl)nonanoic acid?
9-(8-carboxyoctyldiselanyl)nonanoic acid has a molecular weight of 472.39 g/mol, XLogP of 4.78, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-carboxyoctyldiselanyl)nonanoic acid is sourced from PubChem (CID 543395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).