stibanyl heptanoate

C7H15O2Sb — CID 174839221

IUPACstibanyl heptanoate
SMILESCCCCCCC(=O)O[SbH2]
InChIInChI=1S/C7H14O2.Sb.2H/c1-2-3-4-5-6-7(8)9;;;/h2-6H2,1H3,(H,8,9);;;/q;+1;;/p-1
InChIKeySFRGYSVWEWWGOB-UHFFFAOYSA-M
MW252.95 g/mol
LogP1.05
Rot. Bonds5

About stibanyl heptanoate

stibanyl heptanoate (PubChem CID 174839221) has the molecular formula C7H15O2Sb and a molecular weight of 252.95 g/mol. Its IUPAC name is stibanyl heptanoate.

Molecular Properties

Compound Namestibanyl heptanoate
PubChem CID174839221
Molecular FormulaC7H15O2Sb
Molecular Weight252.95 g/mol
Exact Mass252.01
IUPAC Namestibanyl heptanoate
SMILESCCCCCCC(=O)O[SbH2]
InChIInChI=1S/C7H14O2.Sb.2H/c1-2-3-4-5-6-7(8)9;;;/h2-6H2,1H3,(H,8,9);;;/q;+1;;/p-1
InChIKeySFRGYSVWEWWGOB-UHFFFAOYSA-M
XLogP1.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.95
LogP ≤ 51.05
H-Bond Donors ≤ 50
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

heptadecanoyl heptadecaneperoxoate
CID 53438513
heptanoyl octaneperoxoate
CID 142686679
octanoyl tridecaneperoxoate
CID 141014591
acetyl ethaneperoxoate;decanoyl decaneperoxoate;dodecanoyl dodecaneperoxoate
CID 159864612
acetyl decaneperoxoate
CID 18943120
3-methylsulfanylpropanoyl hexadecaneperoxoate
CID 162488789
butanoyl octaneperoxoate
CID 155389347
undecanoyloxy undecaneperoxoate
CID 88844001
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185
pentadecanoyl hexadecanoate
CID 87499774
ditetradecanoyl hexanedioate
CID 175560209

Frequently Asked Questions

What is the IUPAC name of stibanyl heptanoate?
The IUPAC name of stibanyl heptanoate (CID 174839221) is stibanyl heptanoate.
What is the SMILES notation for stibanyl heptanoate?
The canonical SMILES for stibanyl heptanoate is CCCCCCC(=O)O[SbH2].
What is the InChIKey of stibanyl heptanoate?
The InChIKey is SFRGYSVWEWWGOB-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H14O2.Sb.2H/c1-2-3-4-5-6-7(8)9;;;/h2-6H2,1H3,(H,8,9);;;/q;+1;;/p-1.
What are the key properties of stibanyl heptanoate?
stibanyl heptanoate has a molecular weight of 252.95 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for stibanyl heptanoate is sourced from PubChem (CID 174839221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).