1,1-dichloropentane;gallane

C5H13Cl2Ga — CID 174452216

IUPAC1,1-dichloropentane;gallane
SMILESCCCCC(Cl)Cl.[GaH3]
InChIInChI=1S/C5H10Cl2.Ga.3H/c1-2-3-4-5(6)7;;;;/h5H,2-4H2,1H3;;;;
InChIKeyGGFCFELHSAVHKX-UHFFFAOYSA-N
MW213.79 g/mol
LogP1.80
Rot. Bonds3

About 1,1-dichloropentane;gallane

1,1-dichloropentane;gallane (PubChem CID 174452216) has the molecular formula C5H13Cl2Ga and a molecular weight of 213.79 g/mol. Its IUPAC name is 1,1-dichloropentane;gallane.

Molecular Properties

Compound Name1,1-dichloropentane;gallane
PubChem CID174452216
Molecular FormulaC5H13Cl2Ga
Molecular Weight213.79 g/mol
Exact Mass211.97
IUPAC Name1,1-dichloropentane;gallane
SMILESCCCCC(Cl)Cl.[GaH3]
InChIInChI=1S/C5H10Cl2.Ga.3H/c1-2-3-4-5(6)7;;;;/h5H,2-4H2,1H3;;;;
InChIKeyGGFCFELHSAVHKX-UHFFFAOYSA-N
XLogP1.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.79
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,1-dichloropentane;gallane?
The IUPAC name of 1,1-dichloropentane;gallane (CID 174452216) is 1,1-dichloropentane;gallane.
What is the SMILES notation for 1,1-dichloropentane;gallane?
The canonical SMILES for 1,1-dichloropentane;gallane is CCCCC(Cl)Cl.[GaH3].
What is the InChIKey of 1,1-dichloropentane;gallane?
The InChIKey is GGFCFELHSAVHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10Cl2.Ga.3H/c1-2-3-4-5(6)7;;;;/h5H,2-4H2,1H3;;;;.
What are the key properties of 1,1-dichloropentane;gallane?
1,1-dichloropentane;gallane has a molecular weight of 213.79 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloropentane;gallane is sourced from PubChem (CID 174452216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).