copper(1+);3-methoxy-3-methylbutan-1-ol

C6H13CuO2 — CID 87410694

IUPACcopper(1+);3-methoxy-3-methylbutan-1-ol
SMILESCOC(C)(C)C[CH-]O.[Cu+]
InChIInChI=1S/C6H13O2.Cu/c1-6(2,8-3)4-5-7;/h5,7H,4H2,1-3H3;/q-1;+1
InChIKeyZBNZUZXSDFEPND-UHFFFAOYSA-N
MW180.71 g/mol
LogP1.33
Rot. Bonds3

About copper(1+);3-methoxy-3-methylbutan-1-ol

copper(1+);3-methoxy-3-methylbutan-1-ol (PubChem CID 87410694) has the molecular formula C6H13CuO2 and a molecular weight of 180.71 g/mol. Its IUPAC name is copper(1+);3-methoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Namecopper(1+);3-methoxy-3-methylbutan-1-ol
PubChem CID87410694
Molecular FormulaC6H13CuO2
Molecular Weight180.71 g/mol
Exact Mass180.02
IUPAC Namecopper(1+);3-methoxy-3-methylbutan-1-ol
SMILESCOC(C)(C)C[CH-]O.[Cu+]
InChIInChI=1S/C6H13O2.Cu/c1-6(2,8-3)4-5-7;/h5,7H,4H2,1-3H3;/q-1;+1
InChIKeyZBNZUZXSDFEPND-UHFFFAOYSA-N
XLogP1.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.71
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethoxy-2,5-dimethylhexane
CID 552009
1-iodo-3-methoxy-3-methylbutane
CID 22236489
7-methoxy-7-methyloctan-1-ol
CID 175444354
3-methoxy-3-methylbutan-1-ol;hydrate
CID 141489643
copper;3-methoxy-3-methylbutan-1-ol
CID 87410693
5-methoxy-2,5-dimethylhexan-2-ol
CID 21053495
1-fluoro-5-methoxy-3,3,5-trimethylhexan-2-ol
CID 90383714
2-methoxy-2-methylpropane-1-sulfonic acid
CID 22636946
5-methoxy-2,5-dimethylhex-2-ene
CID 10351802
3-methoxy-3-methylbutanethioamide
CID 123631110
ethyl 6-methoxy-2,6-dimethylheptanoate
CID 118230502
10-methoxy-2,10-dimethylundecanoic acid
CID 138478645

Frequently Asked Questions

What is the IUPAC name of copper(1+);3-methoxy-3-methylbutan-1-ol?
The IUPAC name of copper(1+);3-methoxy-3-methylbutan-1-ol (CID 87410694) is copper(1+);3-methoxy-3-methylbutan-1-ol.
What is the SMILES notation for copper(1+);3-methoxy-3-methylbutan-1-ol?
The canonical SMILES for copper(1+);3-methoxy-3-methylbutan-1-ol is COC(C)(C)C[CH-]O.[Cu+].
What is the InChIKey of copper(1+);3-methoxy-3-methylbutan-1-ol?
The InChIKey is ZBNZUZXSDFEPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O2.Cu/c1-6(2,8-3)4-5-7;/h5,7H,4H2,1-3H3;/q-1;+1.
What are the key properties of copper(1+);3-methoxy-3-methylbutan-1-ol?
copper(1+);3-methoxy-3-methylbutan-1-ol has a molecular weight of 180.71 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);3-methoxy-3-methylbutan-1-ol is sourced from PubChem (CID 87410694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).