CID 102086848

C10H19GaO- — CID 102086848

IUPAC—
SMILESCC1CCC=C1[O-].[CH2]C.[CH2]C.[Ga]
InChIInChI=1S/C6H10O.2C2H5.Ga/c1-5-3-2-4-6(5)7;2*1-2;/h4-5,7H,2-3H2,1H3;2*1H2,2H3;/p-1
InChIKeyDOOLHTBLGVKTTI-UHFFFAOYSA-M
MW224.98 g/mol
LogP1.96
Rot. Bonds

About CID 102086848

CID 102086848 (PubChem CID 102086848) has the molecular formula C10H19GaO- and a molecular weight of 224.98 g/mol.

Molecular Properties

Compound NameCID 102086848
PubChem CID102086848
Molecular FormulaC10H19GaO-
Molecular Weight224.98 g/mol
Exact Mass224.07
IUPAC Name—
SMILESCC1CCC=C1[O-].[CH2]C.[CH2]C.[Ga]
InChIInChI=1S/C6H10O.2C2H5.Ga/c1-5-3-2-4-6(5)7;2*1-2;/h4-5,7H,2-3H2,1H3;2*1H2,2H3;/p-1
InChIKeyDOOLHTBLGVKTTI-UHFFFAOYSA-M
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 102086848?
The IUPAC name of CID 102086848 (CID 102086848) is not available.
What is the SMILES notation for CID 102086848?
The canonical SMILES for CID 102086848 is CC1CCC=C1[O-].[CH2]C.[CH2]C.[Ga].
What is the InChIKey of CID 102086848?
The InChIKey is DOOLHTBLGVKTTI-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10O.2C2H5.Ga/c1-5-3-2-4-6(5)7;2*1-2;/h4-5,7H,2-3H2,1H3;2*1H2,2H3;/p-1.
What are the key properties of CID 102086848?
CID 102086848 has a molecular weight of 224.98 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102086848 is sourced from PubChem (CID 102086848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).