tris(butan-1-ol);ethanol;titanium

C14H36O4Ti — CID 21149757

IUPACtris(butan-1-ol);ethanol;titanium
SMILESCCCCO.CCCCO.CCCCO.CCO.[Ti]
InChIInChI=1S/3C4H10O.C2H6O.Ti/c3*1-2-3-4-5;1-2-3;/h3*5H,2-4H2,1H3;3H,2H2,1H3;
InChIKeyXBVFSNVYMGOAKB-UHFFFAOYSA-N
MW316.30 g/mol
LogP2.33
Rot. Bonds6

About tris(butan-1-ol);ethanol;titanium

tris(butan-1-ol);ethanol;titanium (PubChem CID 21149757) has the molecular formula C14H36O4Ti and a molecular weight of 316.30 g/mol. Its IUPAC name is tris(butan-1-ol);ethanol;titanium.

Molecular Properties

Compound Nametris(butan-1-ol);ethanol;titanium
PubChem CID21149757
Molecular FormulaC14H36O4Ti
Molecular Weight316.30 g/mol
Exact Mass316.21
IUPAC Nametris(butan-1-ol);ethanol;titanium
SMILESCCCCO.CCCCO.CCCCO.CCO.[Ti]
InChIInChI=1S/3C4H10O.C2H6O.Ti/c3*1-2-3-4-5;1-2-3;/h3*5H,2-4H2,1H3;3H,2H2,1H3;
InChIKeyXBVFSNVYMGOAKB-UHFFFAOYSA-N
XLogP2.33
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tris(butan-1-ol);ethanol;titanium?
The IUPAC name of tris(butan-1-ol);ethanol;titanium (CID 21149757) is tris(butan-1-ol);ethanol;titanium.
What is the SMILES notation for tris(butan-1-ol);ethanol;titanium?
The canonical SMILES for tris(butan-1-ol);ethanol;titanium is CCCCO.CCCCO.CCCCO.CCO.[Ti].
What is the InChIKey of tris(butan-1-ol);ethanol;titanium?
The InChIKey is XBVFSNVYMGOAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H10O.C2H6O.Ti/c3*1-2-3-4-5;1-2-3;/h3*5H,2-4H2,1H3;3H,2H2,1H3;.
What are the key properties of tris(butan-1-ol);ethanol;titanium?
tris(butan-1-ol);ethanol;titanium has a molecular weight of 316.30 g/mol, XLogP of 2.33, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(butan-1-ol);ethanol;titanium is sourced from PubChem (CID 21149757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).