di(hexadecanoyloxy)bismuthanyl hexadecanoate

C48H93BiO6 — CID 16693016

IUPACdi(hexadecanoyloxy)bismuthanyl hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)O[Bi](OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/3C16H32O2.Bi/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h3*2-15H2,1H3,(H,17,18);/q;;;+3/p-3
InChIKeyLBVKKIZHXBASRJ-UHFFFAOYSA-K
MW975.25 g/mol
LogP16.04
Rot. Bonds45

About di(hexadecanoyloxy)bismuthanyl hexadecanoate

di(hexadecanoyloxy)bismuthanyl hexadecanoate (PubChem CID 16693016) has the molecular formula C48H93BiO6 and a molecular weight of 975.25 g/mol. Its IUPAC name is di(hexadecanoyloxy)bismuthanyl hexadecanoate.

Molecular Properties

Compound Namedi(hexadecanoyloxy)bismuthanyl hexadecanoate
PubChem CID16693016
Molecular FormulaC48H93BiO6
Molecular Weight975.25 g/mol
Exact Mass974.68
IUPAC Namedi(hexadecanoyloxy)bismuthanyl hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)O[Bi](OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/3C16H32O2.Bi/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h3*2-15H2,1H3,(H,17,18);/q;;;+3/p-3
InChIKeyLBVKKIZHXBASRJ-UHFFFAOYSA-K
XLogP16.04
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds45
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500975.25
LogP ≤ 516.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

henicosanoyl docosanoate
CID 175302110
heptadecanoyl heptadecaneperoxoate
CID 53438513
pentadecanoyl hexadecanoate
CID 87499774
ditetradecanoyl hexanedioate
CID 175560209
heptanoyl octaneperoxoate
CID 142686679
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185
octanoyl tridecaneperoxoate
CID 141014591
ethane;octadecanoyl octadecanoate
CID 174636018
dodecanoyl dodecanoate;sulfane
CID 174888621
methyl heptadecanoate
CID 15609
methyl heptanoate
CID 7826

Frequently Asked Questions

What is the IUPAC name of di(hexadecanoyloxy)bismuthanyl hexadecanoate?
The IUPAC name of di(hexadecanoyloxy)bismuthanyl hexadecanoate (CID 16693016) is di(hexadecanoyloxy)bismuthanyl hexadecanoate.
What is the SMILES notation for di(hexadecanoyloxy)bismuthanyl hexadecanoate?
The canonical SMILES for di(hexadecanoyloxy)bismuthanyl hexadecanoate is CCCCCCCCCCCCCCCC(=O)O[Bi](OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC.
What is the InChIKey of di(hexadecanoyloxy)bismuthanyl hexadecanoate?
The InChIKey is LBVKKIZHXBASRJ-UHFFFAOYSA-K. The full InChI is InChI=1S/3C16H32O2.Bi/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h3*2-15H2,1H3,(H,17,18);/q;;;+3/p-3.
What are the key properties of di(hexadecanoyloxy)bismuthanyl hexadecanoate?
di(hexadecanoyloxy)bismuthanyl hexadecanoate has a molecular weight of 975.25 g/mol, XLogP of 16.04, 45 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for di(hexadecanoyloxy)bismuthanyl hexadecanoate is sourced from PubChem (CID 16693016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).