bis(4-hydroxybutanoyloxy)bismuthanyl 4-hydroxybutanoate

C12H21BiO9 — CID 141066458

IUPACbis(4-hydroxybutanoyloxy)bismuthanyl 4-hydroxybutanoate
SMILESO=C(CCCO)O[Bi](OC(=O)CCCO)OC(=O)CCCO
InChIInChI=1S/3C4H8O3.Bi/c3*5-3-1-2-4(6)7;/h3*5H,1-3H2,(H,6,7);/q;;;+3/p-3
InChIKeySXPRFJXDDZEEHT-UHFFFAOYSA-K
MW518.27 g/mol
LogP-1.08
Rot. Bonds12

About bis(4-hydroxybutanoyloxy)bismuthanyl 4-hydroxybutanoate

bis(4-hydroxybutanoyloxy)bismuthanyl 4-hydroxybutanoate (PubChem CID 141066458) has the molecular formula C12H21BiO9 and a molecular weight of 518.27 g/mol. Its IUPAC name is bis(4-hydroxybutanoyloxy)bismuthanyl 4-hydroxybutanoate.

Molecular Properties

Compound Namebis(4-hydroxybutanoyloxy)bismuthanyl 4-hydroxybutanoate
PubChem CID141066458
Molecular FormulaC12H21BiO9
Molecular Weight518.27 g/mol
Exact Mass518.10
IUPAC Namebis(4-hydroxybutanoyloxy)bismuthanyl 4-hydroxybutanoate
SMILESO=C(CCCO)O[Bi](OC(=O)CCCO)OC(=O)CCCO
InChIInChI=1S/3C4H8O3.Bi/c3*5-3-1-2-4(6)7;/h3*5H,1-3H2,(H,6,7);/q;;;+3/p-3
InChIKeySXPRFJXDDZEEHT-UHFFFAOYSA-K
XLogP-1.08
TPSA139.59 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.27
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

di(hexadecanoyloxy)bismuthanyl hexadecanoate
CID 16693016
tris(4-hydroxybutanoyloxy)methyl 4-hydroxybutanoate
CID 139267372
propanoyl 4-hydroxybutanoate
CID 88799917
phosphono 4-hydroxybutanoate
CID 141302386
trifluoromethyl 4-hydroxybutanoate
CID 59923275
prop-2-enyl 4-hydroxybutanoate
CID 11367059
di(propan-2-yl)silyl 4-hydroxybutanoate
CID 123209842
acetic acid;ethyl 4-hydroxybutanoate
CID 173148850
cyclohexane;ethyl 4-hydroxybutanoate
CID 67158425
methyl 15-hydroxy-12-oxopentadecanoate
CID 18183464
methyl 14-hydroxytetradecanoate
CID 13245690
(2-oxoazetidin-1-yl) 4-hydroxybutanoate
CID 86754919

Frequently Asked Questions

What is the IUPAC name of bis(4-hydroxybutanoyloxy)bismuthanyl 4-hydroxybutanoate?
The IUPAC name of bis(4-hydroxybutanoyloxy)bismuthanyl 4-hydroxybutanoate (CID 141066458) is bis(4-hydroxybutanoyloxy)bismuthanyl 4-hydroxybutanoate.
What is the SMILES notation for bis(4-hydroxybutanoyloxy)bismuthanyl 4-hydroxybutanoate?
The canonical SMILES for bis(4-hydroxybutanoyloxy)bismuthanyl 4-hydroxybutanoate is O=C(CCCO)O[Bi](OC(=O)CCCO)OC(=O)CCCO.
What is the InChIKey of bis(4-hydroxybutanoyloxy)bismuthanyl 4-hydroxybutanoate?
The InChIKey is SXPRFJXDDZEEHT-UHFFFAOYSA-K. The full InChI is InChI=1S/3C4H8O3.Bi/c3*5-3-1-2-4(6)7;/h3*5H,1-3H2,(H,6,7);/q;;;+3/p-3.
What are the key properties of bis(4-hydroxybutanoyloxy)bismuthanyl 4-hydroxybutanoate?
bis(4-hydroxybutanoyloxy)bismuthanyl 4-hydroxybutanoate has a molecular weight of 518.27 g/mol, XLogP of -1.08, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-hydroxybutanoyloxy)bismuthanyl 4-hydroxybutanoate is sourced from PubChem (CID 141066458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).