CID 101422478

C10H19GaO- — CID 101422478

IUPAC—
SMILES[CH2]C.[CH2]C.[Ga].[O-]C1=CCCCC1
InChIInChI=1S/C6H10O.2C2H5.Ga/c7-6-4-2-1-3-5-6;2*1-2;/h4,7H,1-3,5H2;2*1H2,2H3;/p-1
InChIKeyKBQQQQVNGYSLLZ-UHFFFAOYSA-M
MW224.98 g/mol
LogP2.10
Rot. Bonds

About CID 101422478

CID 101422478 (PubChem CID 101422478) has the molecular formula C10H19GaO- and a molecular weight of 224.98 g/mol.

Molecular Properties

Compound NameCID 101422478
PubChem CID101422478
Molecular FormulaC10H19GaO-
Molecular Weight224.98 g/mol
Exact Mass224.07
IUPAC Name—
SMILES[CH2]C.[CH2]C.[Ga].[O-]C1=CCCCC1
InChIInChI=1S/C6H10O.2C2H5.Ga/c7-6-4-2-1-3-5-6;2*1-2;/h4,7H,1-3,5H2;2*1H2,2H3;/p-1
InChIKeyKBQQQQVNGYSLLZ-UHFFFAOYSA-M
XLogP2.10
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.98
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 101422478?
The IUPAC name of CID 101422478 (CID 101422478) is not available.
What is the SMILES notation for CID 101422478?
The canonical SMILES for CID 101422478 is [CH2]C.[CH2]C.[Ga].[O-]C1=CCCCC1.
What is the InChIKey of CID 101422478?
The InChIKey is KBQQQQVNGYSLLZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10O.2C2H5.Ga/c7-6-4-2-1-3-5-6;2*1-2;/h4,7H,1-3,5H2;2*1H2,2H3;/p-1.
What are the key properties of CID 101422478?
CID 101422478 has a molecular weight of 224.98 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101422478 is sourced from PubChem (CID 101422478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).