copper;2,3-dihydroxypropyl acetate

C5H10CuO4 — CID 175414462

IUPACcopper;2,3-dihydroxypropyl acetate
SMILESCC(=O)OCC(O)CO.[Cu]
InChIInChI=1S/C5H10O4.Cu/c1-4(7)9-3-5(8)2-6;/h5-6,8H,2-3H2,1H3;
InChIKeyGRZKQDRTAJQMBY-UHFFFAOYSA-N
MW197.68 g/mol
LogP-1.10
Rot. Bonds3

About copper;2,3-dihydroxypropyl acetate

copper;2,3-dihydroxypropyl acetate (PubChem CID 175414462) has the molecular formula C5H10CuO4 and a molecular weight of 197.68 g/mol. Its IUPAC name is copper;2,3-dihydroxypropyl acetate.

Molecular Properties

Compound Namecopper;2,3-dihydroxypropyl acetate
PubChem CID175414462
Molecular FormulaC5H10CuO4
Molecular Weight197.68 g/mol
Exact Mass196.99
IUPAC Namecopper;2,3-dihydroxypropyl acetate
SMILESCC(=O)OCC(O)CO.[Cu]
InChIInChI=1S/C5H10O4.Cu/c1-4(7)9-3-5(8)2-6;/h5-6,8H,2-3H2,1H3;
InChIKeyGRZKQDRTAJQMBY-UHFFFAOYSA-N
XLogP-1.10
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.68
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] acetate
CID 153447851
(3-fluoro-2-hydroxypropyl) acetate
CID 130125053
ethyl acetate;propane-1,2,3-triol
CID 23448368
(5-acetyloxy-4-hydroxypentyl) acetate
CID 74929582
[(2S)-2,3-dihydroxypropyl] carbamate
CID 141178909
2,3-dihydroxypropyl 4-oxopentanoate;hydrate
CID 87111192
1,3-dihydroxypropan-2-yl acetate;2,3-dihydroxypropyl acetate;ethane;bis((2Z,5Z)-hepta-2,5-diene)
CID 158100974
acetic acid;3-(2,3-dihydroxypropoxy)propane-1,2-diol
CID 161329261
2,3-dihydroxypropyl ethyl carbonate
CID 87609123
[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexyl] acetate
CID 54465409
2,3-dihydroxypropyl 2-methylprop-2-enoate;propane
CID 87556862
acetic acid;2,3-di(butanoyloxy)propyl butanoate;2,3-dihydroxypropyl acetate
CID 174547325

Frequently Asked Questions

What is the IUPAC name of copper;2,3-dihydroxypropyl acetate?
The IUPAC name of copper;2,3-dihydroxypropyl acetate (CID 175414462) is copper;2,3-dihydroxypropyl acetate.
What is the SMILES notation for copper;2,3-dihydroxypropyl acetate?
The canonical SMILES for copper;2,3-dihydroxypropyl acetate is CC(=O)OCC(O)CO.[Cu].
What is the InChIKey of copper;2,3-dihydroxypropyl acetate?
The InChIKey is GRZKQDRTAJQMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4.Cu/c1-4(7)9-3-5(8)2-6;/h5-6,8H,2-3H2,1H3;.
What are the key properties of copper;2,3-dihydroxypropyl acetate?
copper;2,3-dihydroxypropyl acetate has a molecular weight of 197.68 g/mol, XLogP of -1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2,3-dihydroxypropyl acetate is sourced from PubChem (CID 175414462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).