butane-1,4-diol;zinc

C4H10O2Zn — CID 170696072

IUPACbutane-1,4-diol;zinc
SMILESOCCCCO.[Zn]
InChIInChI=1S/C4H10O2.Zn/c5-3-1-2-4-6;/h5-6H,1-4H2;
InChIKeySFTJBEPBRABNLR-UHFFFAOYSA-N
MW155.51 g/mol
LogP-0.25
Rot. Bonds3

About butane-1,4-diol;zinc

butane-1,4-diol;zinc (PubChem CID 170696072) has the molecular formula C4H10O2Zn and a molecular weight of 155.51 g/mol. Its IUPAC name is butane-1,4-diol;zinc.

Molecular Properties

Compound Namebutane-1,4-diol;zinc
PubChem CID170696072
Molecular FormulaC4H10O2Zn
Molecular Weight155.51 g/mol
Exact Mass154.00
IUPAC Namebutane-1,4-diol;zinc
SMILESOCCCCO.[Zn]
InChIInChI=1S/C4H10O2.Zn/c5-3-1-2-4-6;/h5-6H,1-4H2;
InChIKeySFTJBEPBRABNLR-UHFFFAOYSA-N
XLogP-0.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.51
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
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

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azane;octakis(butane-1,4-diol)
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Frequently Asked Questions

What is the IUPAC name of butane-1,4-diol;zinc?
The IUPAC name of butane-1,4-diol;zinc (CID 170696072) is butane-1,4-diol;zinc.
What is the SMILES notation for butane-1,4-diol;zinc?
The canonical SMILES for butane-1,4-diol;zinc is OCCCCO.[Zn].
What is the InChIKey of butane-1,4-diol;zinc?
The InChIKey is SFTJBEPBRABNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.Zn/c5-3-1-2-4-6;/h5-6H,1-4H2;.
What are the key properties of butane-1,4-diol;zinc?
butane-1,4-diol;zinc has a molecular weight of 155.51 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1,4-diol;zinc is sourced from PubChem (CID 170696072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).