copper;4-hydroxybutyl acetate

C6H12CuO3 — CID 174883849

IUPACcopper;4-hydroxybutyl acetate
SMILESCC(=O)OCCCCO.[Cu]
InChIInChI=1S/C6H12O3.Cu/c1-6(8)9-5-3-2-4-7;/h7H,2-5H2,1H3;
InChIKeySNFFPLIAQQLPEB-UHFFFAOYSA-N
MW195.70 g/mol
LogP0.32
Rot. Bonds4

About copper;4-hydroxybutyl acetate

copper;4-hydroxybutyl acetate (PubChem CID 174883849) has the molecular formula C6H12CuO3 and a molecular weight of 195.70 g/mol. Its IUPAC name is copper;4-hydroxybutyl acetate.

Molecular Properties

Compound Namecopper;4-hydroxybutyl acetate
PubChem CID174883849
Molecular FormulaC6H12CuO3
Molecular Weight195.70 g/mol
Exact Mass195.01
IUPAC Namecopper;4-hydroxybutyl acetate
SMILESCC(=O)OCCCCO.[Cu]
InChIInChI=1S/C6H12O3.Cu/c1-6(8)9-5-3-2-4-7;/h7H,2-5H2,1H3;
InChIKeySNFFPLIAQQLPEB-UHFFFAOYSA-N
XLogP0.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.70
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butan-1-ol;4-hydroxybutyl acetate
CID 141004053
dodecan-1-ol;pentyl acetate
CID 174729333
butane-1,4-diol;butyl acetate
CID 87703873
4-(3-hydroxypropoxy)butyl acetate
CID 19879655
4-hydroxybutyl acetate;1-propoxypropane
CID 87513978
11-acetyloxyundecyl acetate
CID 87784419
4-hydroxybutyl acetate;prop-2-enyl acetate
CID 88766466
8-chlorooctyl acetate
CID 527879
ethanol;hexadecyl acetate
CID 87919670
3-chloropropyl acetate;phosphane
CID 88684700
methane;4-methoxybutyl acetate
CID 160669604
ethyl acetate;pentane-1,5-diol
CID 88701644

Frequently Asked Questions

What is the IUPAC name of copper;4-hydroxybutyl acetate?
The IUPAC name of copper;4-hydroxybutyl acetate (CID 174883849) is copper;4-hydroxybutyl acetate.
What is the SMILES notation for copper;4-hydroxybutyl acetate?
The canonical SMILES for copper;4-hydroxybutyl acetate is CC(=O)OCCCCO.[Cu].
What is the InChIKey of copper;4-hydroxybutyl acetate?
The InChIKey is SNFFPLIAQQLPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3.Cu/c1-6(8)9-5-3-2-4-7;/h7H,2-5H2,1H3;.
What are the key properties of copper;4-hydroxybutyl acetate?
copper;4-hydroxybutyl acetate has a molecular weight of 195.70 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper;4-hydroxybutyl acetate is sourced from PubChem (CID 174883849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).