bis(2,2-bis(hydroxymethyl)propane-1,3-diol);zinc

C10H24O8Zn — CID 175286954

IUPACbis(2,2-bis(hydroxymethyl)propane-1,3-diol);zinc
SMILESOCC(CO)(CO)CO.OCC(CO)(CO)CO.[Zn]
InChIInChI=1S/2C5H12O4.Zn/c2*6-1-5(2-7,3-8)4-9;/h2*6-9H,1-4H2;
InChIKeyURYXHDSIOPFRDU-UHFFFAOYSA-N
MW337.68 g/mol
LogP-4.12
Rot. Bonds8

About bis(2,2-bis(hydroxymethyl)propane-1,3-diol);zinc

bis(2,2-bis(hydroxymethyl)propane-1,3-diol);zinc (PubChem CID 175286954) has the molecular formula C10H24O8Zn and a molecular weight of 337.68 g/mol. Its IUPAC name is bis(2,2-bis(hydroxymethyl)propane-1,3-diol);zinc.

Molecular Properties

Compound Namebis(2,2-bis(hydroxymethyl)propane-1,3-diol);zinc
PubChem CID175286954
Molecular FormulaC10H24O8Zn
Molecular Weight337.68 g/mol
Exact Mass336.08
IUPAC Namebis(2,2-bis(hydroxymethyl)propane-1,3-diol);zinc
SMILESOCC(CO)(CO)CO.OCC(CO)(CO)CO.[Zn]
InChIInChI=1S/2C5H12O4.Zn/c2*6-1-5(2-7,3-8)4-9;/h2*6-9H,1-4H2;
InChIKeyURYXHDSIOPFRDU-UHFFFAOYSA-N
XLogP-4.12
TPSA161.84 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.68
LogP ≤ 5-4.12
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2,2-bis(hydroxymethyl)(113C)propane-1,3-diol
CID 162343547
actinium;2,2-bis(hydroxymethyl)propane-1,3-diol
CID 18715964
sodium;2,2-bis(hydroxymethyl)propane-1,3-diol;hydride
CID 173460114
2,2-bis(hydroxymethyl)propane-1,3-diol;2,2-dimethylpropane
CID 157350267
tetrakis(2,2-bis(hydroxymethyl)propane-1,3-diol);tetraazide
CID 173049847
2-aminoethanol;2,2-bis(hydroxymethyl)propane-1,3-diol
CID 174799248
acetic acid;bis(2,2-bis(hydroxymethyl)propane-1,3-diol)
CID 173446571
bis(2,2-bis(hydroxymethyl)propane-1,3-diol);tetrakis(butanedioic acid)
CID 173039595
2,2-bis(hydroxymethyl)propane-1,3-diol;N-ethylethanamine
CID 158653740
2,2-bis(hydroxymethyl)propane-1,3-diol;dimethoxymethane
CID 158716862
3-bromo-2,2-bis(bromomethyl)propan-1-ol
CID 15206
2-(bromomethyl)-2-(hydroxymethyl)propane-1,3-diol
CID 157283280

Frequently Asked Questions

What is the IUPAC name of bis(2,2-bis(hydroxymethyl)propane-1,3-diol);zinc?
The IUPAC name of bis(2,2-bis(hydroxymethyl)propane-1,3-diol);zinc (CID 175286954) is bis(2,2-bis(hydroxymethyl)propane-1,3-diol);zinc.
What is the SMILES notation for bis(2,2-bis(hydroxymethyl)propane-1,3-diol);zinc?
The canonical SMILES for bis(2,2-bis(hydroxymethyl)propane-1,3-diol);zinc is OCC(CO)(CO)CO.OCC(CO)(CO)CO.[Zn].
What is the InChIKey of bis(2,2-bis(hydroxymethyl)propane-1,3-diol);zinc?
The InChIKey is URYXHDSIOPFRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H12O4.Zn/c2*6-1-5(2-7,3-8)4-9;/h2*6-9H,1-4H2;.
What are the key properties of bis(2,2-bis(hydroxymethyl)propane-1,3-diol);zinc?
bis(2,2-bis(hydroxymethyl)propane-1,3-diol);zinc has a molecular weight of 337.68 g/mol, XLogP of -4.12, 8 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-bis(hydroxymethyl)propane-1,3-diol);zinc is sourced from PubChem (CID 175286954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).