copper;1,1-dimethoxyethanol

C4H10CuO3 — CID 174871236

IUPACcopper;1,1-dimethoxyethanol
SMILESCOC(C)(O)OC.[Cu]
InChIInChI=1S/C4H10O3.Cu/c1-4(5,6-2)7-3;/h5H,1-3H3;
InChIKeyDNYMRLWIOOJQPO-UHFFFAOYSA-N
MW169.67 g/mol
LogP-0.06
Rot. Bonds2

About copper;1,1-dimethoxyethanol

copper;1,1-dimethoxyethanol (PubChem CID 174871236) has the molecular formula C4H10CuO3 and a molecular weight of 169.67 g/mol. Its IUPAC name is copper;1,1-dimethoxyethanol.

Molecular Properties

Compound Namecopper;1,1-dimethoxyethanol
PubChem CID174871236
Molecular FormulaC4H10CuO3
Molecular Weight169.67 g/mol
Exact Mass168.99
IUPAC Namecopper;1,1-dimethoxyethanol
SMILESCOC(C)(O)OC.[Cu]
InChIInChI=1S/C4H10O3.Cu/c1-4(5,6-2)7-3;/h5H,1-3H3;
InChIKeyDNYMRLWIOOJQPO-UHFFFAOYSA-N
XLogP-0.06
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.67
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper;1,1-dimethoxyethanol?
The IUPAC name of copper;1,1-dimethoxyethanol (CID 174871236) is copper;1,1-dimethoxyethanol.
What is the SMILES notation for copper;1,1-dimethoxyethanol?
The canonical SMILES for copper;1,1-dimethoxyethanol is COC(C)(O)OC.[Cu].
What is the InChIKey of copper;1,1-dimethoxyethanol?
The InChIKey is DNYMRLWIOOJQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3.Cu/c1-4(5,6-2)7-3;/h5H,1-3H3;.
What are the key properties of copper;1,1-dimethoxyethanol?
copper;1,1-dimethoxyethanol has a molecular weight of 169.67 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper;1,1-dimethoxyethanol is sourced from PubChem (CID 174871236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).