CID 102335903

C6H11ClO2Zn- — CID 102335903

IUPAC—
SMILES[CH2]OC(=O)C(C)(C)C.[Cl-].[Zn]
InChIInChI=1S/C6H11O2.ClH.Zn/c1-6(2,3)5(7)8-4;;/h4H2,1-3H3;1H;/p-1
InChIKeyAXZQFNRCTCWUSG-UHFFFAOYSA-M
MW215.99 g/mol
LogP-1.63
Rot. Bonds

About CID 102335903

CID 102335903 (PubChem CID 102335903) has the molecular formula C6H11ClO2Zn- and a molecular weight of 215.99 g/mol.

Molecular Properties

Compound NameCID 102335903
PubChem CID102335903
Molecular FormulaC6H11ClO2Zn-
Molecular Weight215.99 g/mol
Exact Mass213.97
IUPAC Name—
SMILES[CH2]OC(=O)C(C)(C)C.[Cl-].[Zn]
InChIInChI=1S/C6H11O2.ClH.Zn/c1-6(2,3)5(7)8-4;;/h4H2,1-3H3;1H;/p-1
InChIKeyAXZQFNRCTCWUSG-UHFFFAOYSA-M
XLogP-1.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.99
LogP ≤ 5-1.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tris(2,2-dimethylpropanoyloxymethyl 2,2-dimethylpropanoate);yttrium(3+)
CID 177408778
(methylideneamino) 2,2-dimethylpropanoate
CID 141484489
ethene;ethenyl 2,2-dimethylpropanoate
CID 159810443
2,2-dimethylpropanoyloxysulfanyl 2,2-dimethylpropanoate
CID 54093777
CID 101351357
CID 101351357
acetyl 2,2-dimethylpropanoate;silver
CID 146467098
acetic acid;ethenyl 2,2-dimethylpropanoate
CID 162337931
cyano 2,2-dimethylpropanoate
CID 141255582
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
diaminomethyl 2,2-dimethylpropanoate
CID 163435332
(2-amino-2-methylpropanoyl) 2,2-dimethylpropanoate
CID 163587095
3,3-difluorobutyl 2,2-dimethylpropanoate
CID 58568306

Frequently Asked Questions

What is the IUPAC name of CID 102335903?
The IUPAC name of CID 102335903 (CID 102335903) is not available.
What is the SMILES notation for CID 102335903?
The canonical SMILES for CID 102335903 is [CH2]OC(=O)C(C)(C)C.[Cl-].[Zn].
What is the InChIKey of CID 102335903?
The InChIKey is AXZQFNRCTCWUSG-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11O2.ClH.Zn/c1-6(2,3)5(7)8-4;;/h4H2,1-3H3;1H;/p-1.
What are the key properties of CID 102335903?
CID 102335903 has a molecular weight of 215.99 g/mol, XLogP of -1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102335903 is sourced from PubChem (CID 102335903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).