4-methylpentan-2-ol;zinc

C6H14OZn — CID 158419154

IUPAC4-methylpentan-2-ol;zinc
SMILESCC(C)CC(C)O.[Zn]
InChIInChI=1S/C6H14O.Zn/c1-5(2)4-6(3)7;/h5-7H,4H2,1-3H3;
InChIKeyHAGUJFPNTOCHFI-UHFFFAOYSA-N
MW167.57 g/mol
LogP1.41
Rot. Bonds2

About 4-methylpentan-2-ol;zinc

4-methylpentan-2-ol;zinc (PubChem CID 158419154) has the molecular formula C6H14OZn and a molecular weight of 167.57 g/mol. Its IUPAC name is 4-methylpentan-2-ol;zinc.

Molecular Properties

Compound Name4-methylpentan-2-ol;zinc
PubChem CID158419154
Molecular FormulaC6H14OZn
Molecular Weight167.57 g/mol
Exact Mass166.03
IUPAC Name4-methylpentan-2-ol;zinc
SMILESCC(C)CC(C)O.[Zn]
InChIInChI=1S/C6H14O.Zn/c1-5(2)4-6(3)7;/h5-7H,4H2,1-3H3;
InChIKeyHAGUJFPNTOCHFI-UHFFFAOYSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.57
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-methylpentan-2-ol;zinc 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

4-methylpentan-2-ol;titanium
CID 158071265
methane;(2R)-4-methylpentan-2-ol
CID 159585988
ethane-1,2-diol;4-methylpentan-2-ol
CID 158261198
tris(pentane-2,4-diol);ruthenium
CID 5231187
europium;tetrakis(pentane-2,4-diol)
CID 59946569
copper bis(pentane-2,4-diol)
CID 135036707
palladium;bis(pentane-2,4-diol)
CID 58773675
iron(2+);bis(pentane-2,4-diol)
CID 161218003
2-ethylbutan-1-ol;4-methylpentan-2-ol
CID 18702116
(2S)-4-methylpentan-2-ol;propan-2-ylcyclopentane
CID 158186042
carbanide;bis(pentane-2,4-diol);titanium(2+)
CID 58114426
lanthanum;tris(pentane-2,4-diol);dihydrate
CID 5245936

Frequently Asked Questions

What is the IUPAC name of 4-methylpentan-2-ol;zinc?
The IUPAC name of 4-methylpentan-2-ol;zinc (CID 158419154) is 4-methylpentan-2-ol;zinc.
What is the SMILES notation for 4-methylpentan-2-ol;zinc?
The canonical SMILES for 4-methylpentan-2-ol;zinc is CC(C)CC(C)O.[Zn].
What is the InChIKey of 4-methylpentan-2-ol;zinc?
The InChIKey is HAGUJFPNTOCHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.Zn/c1-5(2)4-6(3)7;/h5-7H,4H2,1-3H3;.
What are the key properties of 4-methylpentan-2-ol;zinc?
4-methylpentan-2-ol;zinc has a molecular weight of 167.57 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentan-2-ol;zinc is sourced from PubChem (CID 158419154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).