copper;pentane-1,1,1-triolate

C5H9CuO3-3 — CID 162190471

IUPACcopper;pentane-1,1,1-triolate
SMILESCCCCC([O-])([O-])[O-].[Cu]
InChIInChI=1S/C5H9O3.Cu/c1-2-3-4-5(6,7)8;/h2-4H2,1H3;/q-3;
InChIKeyMTQCJBWTVKNOMH-UHFFFAOYSA-N
MW180.67 g/mol
LogP-2.09
Rot. Bonds3

About copper;pentane-1,1,1-triolate

copper;pentane-1,1,1-triolate (PubChem CID 162190471) has the molecular formula C5H9CuO3-3 and a molecular weight of 180.67 g/mol. Its IUPAC name is copper;pentane-1,1,1-triolate.

Molecular Properties

Compound Namecopper;pentane-1,1,1-triolate
PubChem CID162190471
Molecular FormulaC5H9CuO3-3
Molecular Weight180.67 g/mol
Exact Mass179.99
IUPAC Namecopper;pentane-1,1,1-triolate
SMILESCCCCC([O-])([O-])[O-].[Cu]
InChIInChI=1S/C5H9O3.Cu/c1-2-3-4-5(6,7)8;/h2-4H2,1H3;/q-3;
InChIKeyMTQCJBWTVKNOMH-UHFFFAOYSA-N
XLogP-2.09
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.67
LogP ≤ 5-2.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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5,5-difluorononane
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azane;2,2-dimethylhexane
CID 161105081
calcium;pentane;dichloride
CID 174907743
bis(5-butylnonan-5-yl)silane
CID 173414247
10,10-dibutylicosane
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silane;1,1,1-tribromopentane
CID 158012938
5,8-dibutyl-5,8-diethyldodecane
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Frequently Asked Questions

What is the IUPAC name of copper;pentane-1,1,1-triolate?
The IUPAC name of copper;pentane-1,1,1-triolate (CID 162190471) is copper;pentane-1,1,1-triolate.
What is the SMILES notation for copper;pentane-1,1,1-triolate?
The canonical SMILES for copper;pentane-1,1,1-triolate is CCCCC([O-])([O-])[O-].[Cu].
What is the InChIKey of copper;pentane-1,1,1-triolate?
The InChIKey is MTQCJBWTVKNOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O3.Cu/c1-2-3-4-5(6,7)8;/h2-4H2,1H3;/q-3;.
What are the key properties of copper;pentane-1,1,1-triolate?
copper;pentane-1,1,1-triolate has a molecular weight of 180.67 g/mol, XLogP of -2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper;pentane-1,1,1-triolate is sourced from PubChem (CID 162190471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).