tris(butan-2-ol);gallane

C12H33GaO3 — CID 175569742

IUPACtris(butan-2-ol);gallane
SMILESCCC(C)O.CCC(C)O.CCC(C)O.[GaH3]
InChIInChI=1S/3C4H10O.Ga.3H/c3*1-3-4(2)5;;;;/h3*4-5H,3H2,1-2H3;;;;
InChIKeySWVFZDKULVOOMF-UHFFFAOYSA-N
MW295.12 g/mol
LogP1.15
Rot. Bonds3

About tris(butan-2-ol);gallane

tris(butan-2-ol);gallane (PubChem CID 175569742) has the molecular formula C12H33GaO3 and a molecular weight of 295.12 g/mol. Its IUPAC name is tris(butan-2-ol);gallane.

Molecular Properties

Compound Nametris(butan-2-ol);gallane
PubChem CID175569742
Molecular FormulaC12H33GaO3
Molecular Weight295.12 g/mol
Exact Mass294.17
IUPAC Nametris(butan-2-ol);gallane
SMILESCCC(C)O.CCC(C)O.CCC(C)O.[GaH3]
InChIInChI=1S/3C4H10O.Ga.3H/c3*1-3-4(2)5;;;;/h3*4-5H,3H2,1-2H3;;;;
InChIKeySWVFZDKULVOOMF-UHFFFAOYSA-N
XLogP1.15
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.12
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 87560104
butan-2-ol;but-2-ene
CID 157060914
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Frequently Asked Questions

What is the IUPAC name of tris(butan-2-ol);gallane?
The IUPAC name of tris(butan-2-ol);gallane (CID 175569742) is tris(butan-2-ol);gallane.
What is the SMILES notation for tris(butan-2-ol);gallane?
The canonical SMILES for tris(butan-2-ol);gallane is CCC(C)O.CCC(C)O.CCC(C)O.[GaH3].
What is the InChIKey of tris(butan-2-ol);gallane?
The InChIKey is SWVFZDKULVOOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H10O.Ga.3H/c3*1-3-4(2)5;;;;/h3*4-5H,3H2,1-2H3;;;;.
What are the key properties of tris(butan-2-ol);gallane?
tris(butan-2-ol);gallane has a molecular weight of 295.12 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(butan-2-ol);gallane is sourced from PubChem (CID 175569742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).