decakis(butan-1-olate);tris(oxygen(2-));tetrakis(titanium(4+))

C40H90O13Ti4 — CID 53384475

IUPACdecakis(butan-1-olate);tris(oxygen(2-));tetrakis(titanium(4+))
SMILESCCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].[O-2].[O-2].[O-2].[Ti+4].[Ti+4].[Ti+4].[Ti+4]
InChIInChI=1S/10C4H9O.3O.4Ti/c10*1-2-3-4-5;;;;;;;/h10*2-4H2,1H3;;;;;;;/q10*-1;3*-2;4*+4
InChIKeyLEAWWEHOHYFEPH-UHFFFAOYSA-N
MW970.61 g/mol
LogP1.10
Rot. Bonds20

About decakis(butan-1-olate);tris(oxygen(2-));tetrakis(titanium(4+))

decakis(butan-1-olate);tris(oxygen(2-));tetrakis(titanium(4+)) (PubChem CID 53384475) has the molecular formula C40H90O13Ti4 and a molecular weight of 970.61 g/mol. Its IUPAC name is decakis(butan-1-olate);tris(oxygen(2-));tetrakis(titanium(4+)).

Molecular Properties

Compound Namedecakis(butan-1-olate);tris(oxygen(2-));tetrakis(titanium(4+))
PubChem CID53384475
Molecular FormulaC40H90O13Ti4
Molecular Weight970.61 g/mol
Exact Mass970.43
IUPAC Namedecakis(butan-1-olate);tris(oxygen(2-));tetrakis(titanium(4+))
SMILESCCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].[O-2].[O-2].[O-2].[Ti+4].[Ti+4].[Ti+4].[Ti+4]
InChIInChI=1S/10C4H9O.3O.4Ti/c10*1-2-3-4-5;;;;;;;/h10*2-4H2,1H3;;;;;;;/q10*-1;3*-2;4*+4
InChIKeyLEAWWEHOHYFEPH-UHFFFAOYSA-N
XLogP1.10
TPSA316.10 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms57
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500970.61
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of decakis(butan-1-olate);tris(oxygen(2-));tetrakis(titanium(4+))?
The IUPAC name of decakis(butan-1-olate);tris(oxygen(2-));tetrakis(titanium(4+)) (CID 53384475) is decakis(butan-1-olate);tris(oxygen(2-));tetrakis(titanium(4+)).
What is the SMILES notation for decakis(butan-1-olate);tris(oxygen(2-));tetrakis(titanium(4+))?
The canonical SMILES for decakis(butan-1-olate);tris(oxygen(2-));tetrakis(titanium(4+)) is CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].[O-2].[O-2].[O-2].[Ti+4].[Ti+4].[Ti+4].[Ti+4].
What is the InChIKey of decakis(butan-1-olate);tris(oxygen(2-));tetrakis(titanium(4+))?
The InChIKey is LEAWWEHOHYFEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/10C4H9O.3O.4Ti/c10*1-2-3-4-5;;;;;;;/h10*2-4H2,1H3;;;;;;;/q10*-1;3*-2;4*+4.
What are the key properties of decakis(butan-1-olate);tris(oxygen(2-));tetrakis(titanium(4+))?
decakis(butan-1-olate);tris(oxygen(2-));tetrakis(titanium(4+)) has a molecular weight of 970.61 g/mol, XLogP of 1.10, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for decakis(butan-1-olate);tris(oxygen(2-));tetrakis(titanium(4+)) is sourced from PubChem (CID 53384475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).