copper;methyl acetate

C3H6CuO2 — CID 174340034

IUPACcopper;methyl acetate
SMILESCOC(C)=O.[Cu]
InChIInChI=1S/C3H6O2.Cu/c1-3(4)5-2;/h1-2H3;
InChIKeySASPQQQEBFAIIE-UHFFFAOYSA-N
MW137.62 g/mol
LogP0.18
Rot. Bonds

About copper;methyl acetate

copper;methyl acetate (PubChem CID 174340034) has the molecular formula C3H6CuO2 and a molecular weight of 137.62 g/mol. Its IUPAC name is copper;methyl acetate.

Molecular Properties

Compound Namecopper;methyl acetate
PubChem CID174340034
Molecular FormulaC3H6CuO2
Molecular Weight137.62 g/mol
Exact Mass136.97
IUPAC Namecopper;methyl acetate
SMILESCOC(C)=O.[Cu]
InChIInChI=1S/C3H6O2.Cu/c1-3(4)5-2;/h1-2H3;
InChIKeySASPQQQEBFAIIE-UHFFFAOYSA-N
XLogP0.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.62
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl acetate;ruthenium
CID 160799101
methyl acetate;titanium
CID 87665287
methane;methyl acetate
CID 162094565
argon;methyl acetate
CID 169424774
bismuthane;methyl acetate
CID 174537209
methane;methyl acetate
CID 158871569
CID 159985177
CID 159985177
deuteride;methyl acetate;hydrate
CID 160772266
tetrakis(cyclohexane);methyl acetate
CID 159246653
methyl acetate;nitrous acid
CID 174825102
CID 164988510
CID 164988510
2-chloropropane;methyl acetate
CID 157293612

Frequently Asked Questions

What is the IUPAC name of copper;methyl acetate?
The IUPAC name of copper;methyl acetate (CID 174340034) is copper;methyl acetate.
What is the SMILES notation for copper;methyl acetate?
The canonical SMILES for copper;methyl acetate is COC(C)=O.[Cu].
What is the InChIKey of copper;methyl acetate?
The InChIKey is SASPQQQEBFAIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.Cu/c1-3(4)5-2;/h1-2H3;.
What are the key properties of copper;methyl acetate?
copper;methyl acetate has a molecular weight of 137.62 g/mol, XLogP of 0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;methyl acetate is sourced from PubChem (CID 174340034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).