copper(1+);dodecyl sulfate

C12H25CuO4S — CID 174360133

IUPACcopper(1+);dodecyl sulfate
SMILESCCCCCCCCCCCCOS(=O)(=O)[O-].[Cu+]
InChIInChI=1S/C12H26O4S.Cu/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1
InChIKeyMBRHGCSEWFMDPI-UHFFFAOYSA-M
MW328.94 g/mol
LogP3.38
Rot. Bonds12

About copper(1+);dodecyl sulfate

copper(1+);dodecyl sulfate (PubChem CID 174360133) has the molecular formula C12H25CuO4S and a molecular weight of 328.94 g/mol. Its IUPAC name is copper(1+);dodecyl sulfate.

Molecular Properties

Compound Namecopper(1+);dodecyl sulfate
PubChem CID174360133
Molecular FormulaC12H25CuO4S
Molecular Weight328.94 g/mol
Exact Mass328.08
IUPAC Namecopper(1+);dodecyl sulfate
SMILESCCCCCCCCCCCCOS(=O)(=O)[O-].[Cu+]
InChIInChI=1S/C12H26O4S.Cu/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1
InChIKeyMBRHGCSEWFMDPI-UHFFFAOYSA-M
XLogP3.38
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.94
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

Analyze copper(1+);dodecyl sulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium decyl sulfate
CID 23673657
calcium nonyl sulfate
CID 101286747
cobalt(2+);dodecyl sulfate
CID 87268751
dodecyl sulfate;gadolinium(3+)
CID 102378284
sodium tetradecyl sulfate
CID 23665770
sodium heptacosyl sulfate
CID 155090064
sodium hexyl sulfate
CID 23678858
disodium bis(hexadecyl sulfate)
CID 10394875
magnesium bis(tricosyl sulfate)
CID 101286759
zinc octyl sulfate
CID 139716471
cesium dodecyl sulfate
CID 23711718
sodium pentadecyl sulfate
CID 23700089

Frequently Asked Questions

What is the IUPAC name of copper(1+);dodecyl sulfate?
The IUPAC name of copper(1+);dodecyl sulfate (CID 174360133) is copper(1+);dodecyl sulfate.
What is the SMILES notation for copper(1+);dodecyl sulfate?
The canonical SMILES for copper(1+);dodecyl sulfate is CCCCCCCCCCCCOS(=O)(=O)[O-].[Cu+].
What is the InChIKey of copper(1+);dodecyl sulfate?
The InChIKey is MBRHGCSEWFMDPI-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H26O4S.Cu/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1.
What are the key properties of copper(1+);dodecyl sulfate?
copper(1+);dodecyl sulfate has a molecular weight of 328.94 g/mol, XLogP of 3.38, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);dodecyl sulfate is sourced from PubChem (CID 174360133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).