copper(1+);propoxymethanone

C4H7CuO2 — CID 174561144

IUPACcopper(1+);propoxymethanone
SMILESCCCO[C-]=O.[Cu+]
InChIInChI=1S/C4H7O2.Cu/c1-2-3-6-4-5;/h2-3H2,1H3;/q-1;+1
InChIKeyMIQKSLAWKLKKCE-UHFFFAOYSA-N
MW150.64 g/mol
LogP0.48
Rot. Bonds3

About copper(1+);propoxymethanone

copper(1+);propoxymethanone (PubChem CID 174561144) has the molecular formula C4H7CuO2 and a molecular weight of 150.64 g/mol. Its IUPAC name is copper(1+);propoxymethanone.

Molecular Properties

Compound Namecopper(1+);propoxymethanone
PubChem CID174561144
Molecular FormulaC4H7CuO2
Molecular Weight150.64 g/mol
Exact Mass149.97
IUPAC Namecopper(1+);propoxymethanone
SMILESCCCO[C-]=O.[Cu+]
InChIInChI=1S/C4H7O2.Cu/c1-2-3-6-4-5;/h2-3H2,1H3;/q-1;+1
InChIKeyMIQKSLAWKLKKCE-UHFFFAOYSA-N
XLogP0.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.64
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

butoxymethanone;hydroxymethanone;tin(4+)
CID 173100120
1-[methyl(propoxy)phosphoryl]oxypropane
CID 566276
butoxymethanone;ethene;3-(4-methylcyclohexyl)propyl prop-2-enoate;propoxymethanone;(3,3,5-trimethylcyclohexyl) prop-2-enoate;tungsten;tris(tungsten(2+))
CID 160805423
methane;propyl butanoate
CID 157187060
propyl phosphate;bis(tetramethylphosphanium)
CID 87474534
ethane;propane;1-propoxypropane
CID 143757970
propoxygermane
CID 154156354
bis(copper(1+));oxomethoxymethanone
CID 170173463
propyl (2R)-2-amino-3-hydroxypropanoate
CID 55281348
sodium hydroxy propyl phosphate
CID 172830425
butyl propyl phosphate;nickel
CID 88805143
sodium amino propyl phosphate
CID 174784234

Frequently Asked Questions

What is the IUPAC name of copper(1+);propoxymethanone?
The IUPAC name of copper(1+);propoxymethanone (CID 174561144) is copper(1+);propoxymethanone.
What is the SMILES notation for copper(1+);propoxymethanone?
The canonical SMILES for copper(1+);propoxymethanone is CCCO[C-]=O.[Cu+].
What is the InChIKey of copper(1+);propoxymethanone?
The InChIKey is MIQKSLAWKLKKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O2.Cu/c1-2-3-6-4-5;/h2-3H2,1H3;/q-1;+1.
What are the key properties of copper(1+);propoxymethanone?
copper(1+);propoxymethanone has a molecular weight of 150.64 g/mol, XLogP of 0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);propoxymethanone is sourced from PubChem (CID 174561144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).