CID 171375456

C30H42Ga — CID 171375456

IUPAC—
SMILESCC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.[Ga]
InChIInChI=1S/3C10H14.Ga/c3*1-10(2,3)9-7-5-4-6-8-9;/h3*4-8H,1-3H3;
InChIKeyUYKQTUODXRBHRK-UHFFFAOYSA-N
MW472.39 g/mol
LogP8.57
Rot. Bonds

About CID 171375456

CID 171375456 (PubChem CID 171375456) has the molecular formula C30H42Ga and a molecular weight of 472.39 g/mol.

Molecular Properties

Compound NameCID 171375456
PubChem CID171375456
Molecular FormulaC30H42Ga
Molecular Weight472.39 g/mol
Exact Mass471.25
IUPAC Name—
SMILESCC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.[Ga]
InChIInChI=1S/3C10H14.Ga/c3*1-10(2,3)9-7-5-4-6-8-9;/h3*4-8H,1-3H3;
InChIKeyUYKQTUODXRBHRK-UHFFFAOYSA-N
XLogP8.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.39
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 171375456?
The IUPAC name of CID 171375456 (CID 171375456) is not available.
What is the SMILES notation for CID 171375456?
The canonical SMILES for CID 171375456 is CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.[Ga].
What is the InChIKey of CID 171375456?
The InChIKey is UYKQTUODXRBHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H14.Ga/c3*1-10(2,3)9-7-5-4-6-8-9;/h3*4-8H,1-3H3;.
What are the key properties of CID 171375456?
CID 171375456 has a molecular weight of 472.39 g/mol, XLogP of 8.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171375456 is sourced from PubChem (CID 171375456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).