copper(1+);propan-2-olate

C3H7CuO — CID 14440349

IUPACcopper(1+);propan-2-olate
SMILESCC(C)[O-].[Cu+]
InChIInChI=1S/C3H7O.Cu/c1-3(2)4;/h3H,1-2H3;/q-1;+1
InChIKeyNWGYFCCFFAYTNK-UHFFFAOYSA-N
MW122.63 g/mol
LogP-0.25
Rot. Bonds

About copper(1+);propan-2-olate

copper(1+);propan-2-olate (PubChem CID 14440349) has the molecular formula C3H7CuO and a molecular weight of 122.63 g/mol. Its IUPAC name is copper(1+);propan-2-olate.

Molecular Properties

Compound Namecopper(1+);propan-2-olate
PubChem CID14440349
Molecular FormulaC3H7CuO
Molecular Weight122.63 g/mol
Exact Mass121.98
IUPAC Namecopper(1+);propan-2-olate
SMILESCC(C)[O-].[Cu+]
InChIInChI=1S/C3H7O.Cu/c1-3(2)4;/h3H,1-2H3;/q-1;+1
InChIKeyNWGYFCCFFAYTNK-UHFFFAOYSA-N
XLogP-0.25
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.63
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Propanol, sodium salt (1:1)
CID 10920443
Potassium propan-2-olate
CID 23663646
Lithium propan-2-olate
CID 23673350
Isopropanolate
CID 3260420
1-Methyl ethoxy radical
CID 138083
Isopropyl hypochlorite
CID 12936775
Magnesium propan-2-olate
CID 44147213
Isopropoxygallium dihydride
CID 66545827
Isopropyl hypobromite
CID 129764657
Propan-2-yl hypofluorite
CID 18679080
Thallium(1+) propan-2-olate
CID 25087077
CID 16714480
CID 16714480

Frequently Asked Questions

What is the IUPAC name of copper(1+);propan-2-olate?
The IUPAC name of copper(1+);propan-2-olate (CID 14440349) is copper(1+);propan-2-olate.
What is the SMILES notation for copper(1+);propan-2-olate?
The canonical SMILES for copper(1+);propan-2-olate is CC(C)[O-].[Cu+].
What is the InChIKey of copper(1+);propan-2-olate?
The InChIKey is NWGYFCCFFAYTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O.Cu/c1-3(2)4;/h3H,1-2H3;/q-1;+1.
What are the key properties of copper(1+);propan-2-olate?
copper(1+);propan-2-olate has a molecular weight of 122.63 g/mol, XLogP of -0.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);propan-2-olate is sourced from PubChem (CID 14440349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).