copper;prop-2-enyl formate

C4H6CuO2 — CID 88526438

IUPACcopper;prop-2-enyl formate
SMILESC=CCOC=O.[Cu]
InChIInChI=1S/C4H6O2.Cu/c1-2-3-6-4-5;/h2,4H,1,3H2;
InChIKeySXVJRRJBNRIKBP-UHFFFAOYSA-N
MW149.64 g/mol
LogP0.34
Rot. Bonds3

About copper;prop-2-enyl formate

copper;prop-2-enyl formate (PubChem CID 88526438) has the molecular formula C4H6CuO2 and a molecular weight of 149.64 g/mol. Its IUPAC name is copper;prop-2-enyl formate.

Molecular Properties

Compound Namecopper;prop-2-enyl formate
PubChem CID88526438
Molecular FormulaC4H6CuO2
Molecular Weight149.64 g/mol
Exact Mass148.97
IUPAC Namecopper;prop-2-enyl formate
SMILESC=CCOC=O.[Cu]
InChIInChI=1S/C4H6O2.Cu/c1-2-3-6-4-5;/h2,4H,1,3H2;
InChIKeySXVJRRJBNRIKBP-UHFFFAOYSA-N
XLogP0.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.64
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,2-dichlorobenzene;prop-2-enyl formate
CID 174878144
benzylbenzene;prop-2-enyl formate
CID 174413200
but-3-enyl formate
CID 10909500
4-oxobut-2-enyl formate
CID 175038246
prop-2-enyl 4-formyloxybut-2-enoate
CID 173056618
benzylbenzene;diphenylmethanone;prop-2-enyl formate
CID 174817716
[(E)-3-chloroprop-2-enyl] formate
CID 19841665
[(Z)-3-bromobut-2-enyl] formate
CID 173084434
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene
CID 58112303
phosphanylmethyl formate
CID 59121577
2-(formyloxymethoxy)ethyl formate
CID 57242622
ethyl formate;propa-1,2-diene
CID 174771655

Frequently Asked Questions

What is the IUPAC name of copper;prop-2-enyl formate?
The IUPAC name of copper;prop-2-enyl formate (CID 88526438) is copper;prop-2-enyl formate.
What is the SMILES notation for copper;prop-2-enyl formate?
The canonical SMILES for copper;prop-2-enyl formate is C=CCOC=O.[Cu].
What is the InChIKey of copper;prop-2-enyl formate?
The InChIKey is SXVJRRJBNRIKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.Cu/c1-2-3-6-4-5;/h2,4H,1,3H2;.
What are the key properties of copper;prop-2-enyl formate?
copper;prop-2-enyl formate has a molecular weight of 149.64 g/mol, XLogP of 0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;prop-2-enyl formate is sourced from PubChem (CID 88526438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).