tetrakis(butan-1-ol);propane;titanium

C19H48O4Ti — CID 174520119

IUPACtetrakis(butan-1-ol);propane;titanium
SMILESCCC.CCCCO.CCCCO.CCCCO.CCCCO.[Ti]
InChIInChI=1S/4C4H10O.C3H8.Ti/c4*1-2-3-4-5;1-3-2;/h4*5H,2-4H2,1H3;3H2,1-2H3;
InChIKeyQIHXRIZLPSKIJZ-UHFFFAOYSA-N
MW388.46 g/mol
LogP4.53
Rot. Bonds8

About tetrakis(butan-1-ol);propane;titanium

tetrakis(butan-1-ol);propane;titanium (PubChem CID 174520119) has the molecular formula C19H48O4Ti and a molecular weight of 388.46 g/mol. Its IUPAC name is tetrakis(butan-1-ol);propane;titanium.

Molecular Properties

Compound Nametetrakis(butan-1-ol);propane;titanium
PubChem CID174520119
Molecular FormulaC19H48O4Ti
Molecular Weight388.46 g/mol
Exact Mass388.30
IUPAC Nametetrakis(butan-1-ol);propane;titanium
SMILESCCC.CCCCO.CCCCO.CCCCO.CCCCO.[Ti]
InChIInChI=1S/4C4H10O.C3H8.Ti/c4*1-2-3-4-5;1-3-2;/h4*5H,2-4H2,1H3;3H2,1-2H3;
InChIKeyQIHXRIZLPSKIJZ-UHFFFAOYSA-N
XLogP4.53
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 25200102
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CID 19774960
butan-1-ol;methanol
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Frequently Asked Questions

What is the IUPAC name of tetrakis(butan-1-ol);propane;titanium?
The IUPAC name of tetrakis(butan-1-ol);propane;titanium (CID 174520119) is tetrakis(butan-1-ol);propane;titanium.
What is the SMILES notation for tetrakis(butan-1-ol);propane;titanium?
The canonical SMILES for tetrakis(butan-1-ol);propane;titanium is CCC.CCCCO.CCCCO.CCCCO.CCCCO.[Ti].
What is the InChIKey of tetrakis(butan-1-ol);propane;titanium?
The InChIKey is QIHXRIZLPSKIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C4H10O.C3H8.Ti/c4*1-2-3-4-5;1-3-2;/h4*5H,2-4H2,1H3;3H2,1-2H3;.
What are the key properties of tetrakis(butan-1-ol);propane;titanium?
tetrakis(butan-1-ol);propane;titanium has a molecular weight of 388.46 g/mol, XLogP of 4.53, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(butan-1-ol);propane;titanium is sourced from PubChem (CID 174520119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).