pentakis(2-hydroxypropan-1-one);zinc

C15H25O10Zn-5 — CID 175701259

IUPACpentakis(2-hydroxypropan-1-one);zinc
SMILESCC(O)[C-]=O.CC(O)[C-]=O.CC(O)[C-]=O.CC(O)[C-]=O.CC(O)[C-]=O.[Zn]
InChIInChI=1S/5C3H5O2.Zn/c5*1-3(5)2-4;/h5*3,5H,1H3;/q5*-1;
InChIKeyFXADFRRFINESNM-UHFFFAOYSA-N
MW430.75 g/mol
LogP-2.62
Rot. Bonds5

About pentakis(2-hydroxypropan-1-one);zinc

pentakis(2-hydroxypropan-1-one);zinc (PubChem CID 175701259) has the molecular formula C15H25O10Zn-5 and a molecular weight of 430.75 g/mol. Its IUPAC name is pentakis(2-hydroxypropan-1-one);zinc.

Molecular Properties

Compound Namepentakis(2-hydroxypropan-1-one);zinc
PubChem CID175701259
Molecular FormulaC15H25O10Zn-5
Molecular Weight430.75 g/mol
Exact Mass429.08
IUPAC Namepentakis(2-hydroxypropan-1-one);zinc
SMILESCC(O)[C-]=O.CC(O)[C-]=O.CC(O)[C-]=O.CC(O)[C-]=O.CC(O)[C-]=O.[Zn]
InChIInChI=1S/5C3H5O2.Zn/c5*1-3(5)2-4;/h5*3,5H,1H3;/q5*-1;
InChIKeyFXADFRRFINESNM-UHFFFAOYSA-N
XLogP-2.62
TPSA186.50 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.75
LogP ≤ 5-2.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

trihydroxy(methyl)phosphanium;zinc
CID 158601000
potassium 2-methylpropan-1-one
CID 59962400
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CID 177286593
(Z)-2,3-bis(1-hydroxyethyl)but-2-enedioic acid
CID 23312433
4-methylpentan-2-ol;zinc
CID 158419154
acetic acid;ethanone;2-methylpropan-1-one;silver
CID 146467097
bis(dibromorhenium);bis(ethane-1,1-diol)
CID 5231293
propan-2-ol;sulfur trioxide
CID 174853571
tetrakis(propan-2-ol);thulium
CID 174050117
holmium;tris(propan-2-ol)
CID 102601028
molybdenum;bis(propan-2-ol)
CID 139825284
CID 85354423
CID 85354423

Frequently Asked Questions

What is the IUPAC name of pentakis(2-hydroxypropan-1-one);zinc?
The IUPAC name of pentakis(2-hydroxypropan-1-one);zinc (CID 175701259) is pentakis(2-hydroxypropan-1-one);zinc.
What is the SMILES notation for pentakis(2-hydroxypropan-1-one);zinc?
The canonical SMILES for pentakis(2-hydroxypropan-1-one);zinc is CC(O)[C-]=O.CC(O)[C-]=O.CC(O)[C-]=O.CC(O)[C-]=O.CC(O)[C-]=O.[Zn].
What is the InChIKey of pentakis(2-hydroxypropan-1-one);zinc?
The InChIKey is FXADFRRFINESNM-UHFFFAOYSA-N. The full InChI is InChI=1S/5C3H5O2.Zn/c5*1-3(5)2-4;/h5*3,5H,1H3;/q5*-1;.
What are the key properties of pentakis(2-hydroxypropan-1-one);zinc?
pentakis(2-hydroxypropan-1-one);zinc has a molecular weight of 430.75 g/mol, XLogP of -2.62, 5 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(2-hydroxypropan-1-one);zinc is sourced from PubChem (CID 175701259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).