indium(3+);propan-1-ol;tris(propan-1-olate)

C12H29InO4 — CID 172808017

IUPACindium(3+);propan-1-ol;tris(propan-1-olate)
SMILESCCCO.CCC[O-].CCC[O-].CCC[O-].[In+3]
InChIInChI=1S/C3H8O.3C3H7O.In/c4*1-2-3-4;/h4H,2-3H2,1H3;3*2-3H2,1H3;/q;3*-1;+3
InChIKeyRTXPZCBVEPLVKD-UHFFFAOYSA-N
MW352.18 g/mol
LogP-0.72
Rot. Bonds4

About indium(3+);propan-1-ol;tris(propan-1-olate)

indium(3+);propan-1-ol;tris(propan-1-olate) (PubChem CID 172808017) has the molecular formula C12H29InO4 and a molecular weight of 352.18 g/mol. Its IUPAC name is indium(3+);propan-1-ol;tris(propan-1-olate).

Molecular Properties

Compound Nameindium(3+);propan-1-ol;tris(propan-1-olate)
PubChem CID172808017
Molecular FormulaC12H29InO4
Molecular Weight352.18 g/mol
Exact Mass352.11
IUPAC Nameindium(3+);propan-1-ol;tris(propan-1-olate)
SMILESCCCO.CCC[O-].CCC[O-].CCC[O-].[In+3]
InChIInChI=1S/C3H8O.3C3H7O.In/c4*1-2-3-4;/h4H,2-3H2,1H3;3*2-3H2,1H3;/q;3*-1;+3
InChIKeyRTXPZCBVEPLVKD-UHFFFAOYSA-N
XLogP-0.72
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of indium(3+);propan-1-ol;tris(propan-1-olate)?
The IUPAC name of indium(3+);propan-1-ol;tris(propan-1-olate) (CID 172808017) is indium(3+);propan-1-ol;tris(propan-1-olate).
What is the SMILES notation for indium(3+);propan-1-ol;tris(propan-1-olate)?
The canonical SMILES for indium(3+);propan-1-ol;tris(propan-1-olate) is CCCO.CCC[O-].CCC[O-].CCC[O-].[In+3].
What is the InChIKey of indium(3+);propan-1-ol;tris(propan-1-olate)?
The InChIKey is RTXPZCBVEPLVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.3C3H7O.In/c4*1-2-3-4;/h4H,2-3H2,1H3;3*2-3H2,1H3;/q;3*-1;+3.
What are the key properties of indium(3+);propan-1-ol;tris(propan-1-olate)?
indium(3+);propan-1-ol;tris(propan-1-olate) has a molecular weight of 352.18 g/mol, XLogP of -0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for indium(3+);propan-1-ol;tris(propan-1-olate) is sourced from PubChem (CID 172808017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).