triethoxyindigane

C6H15InO3 — CID 16701139

IUPACtriethoxyindigane
SMILESCCO[In](OCC)OCC
InChIInChI=1S/3C2H5O.In/c3*1-2-3;/h3*2H2,1H3;/q3*-1;+3
InChIKeyMCXZOLDSEPCWRB-UHFFFAOYSA-N
MW250.00 g/mol
LogP1.08
Rot. Bonds6

About triethoxyindigane

triethoxyindigane (PubChem CID 16701139) has the molecular formula C6H15InO3 and a molecular weight of 250.00 g/mol. Its IUPAC name is triethoxyindigane.

Molecular Properties

Compound Nametriethoxyindigane
PubChem CID16701139
Molecular FormulaC6H15InO3
Molecular Weight250.00 g/mol
Exact Mass250.01
IUPAC Nametriethoxyindigane
SMILESCCO[In](OCC)OCC
InChIInChI=1S/3C2H5O.In/c3*1-2-3;/h3*2H2,1H3;/q3*-1;+3
InChIKeyMCXZOLDSEPCWRB-UHFFFAOYSA-N
XLogP1.08
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.00
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of triethoxyindigane?
The IUPAC name of triethoxyindigane (CID 16701139) is triethoxyindigane.
What is the SMILES notation for triethoxyindigane?
The canonical SMILES for triethoxyindigane is CCO[In](OCC)OCC.
What is the InChIKey of triethoxyindigane?
The InChIKey is MCXZOLDSEPCWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H5O.In/c3*1-2-3;/h3*2H2,1H3;/q3*-1;+3.
What are the key properties of triethoxyindigane?
triethoxyindigane has a molecular weight of 250.00 g/mol, XLogP of 1.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxyindigane is sourced from PubChem (CID 16701139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).