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

C15H37O3Ti- — CID 150243103

IUPACtris(butan-1-ol);propane;titanium
SMILESCCCCO.CCCCO.CCCCO.[CH2-]CC.[Ti]
InChIInChI=1S/3C4H10O.C3H7.Ti/c3*1-2-3-4-5;1-3-2;/h3*5H,2-4H2,1H3;1,3H2,2H3;/q;;;-1;
InChIKeyHSEVSENLXISEPR-UHFFFAOYSA-N
MW313.32 g/mol
LogP3.56
Rot. Bonds6

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

tris(butan-1-ol);propane;titanium (PubChem CID 150243103) has the molecular formula C15H37O3Ti- and a molecular weight of 313.32 g/mol. Its IUPAC name is tris(butan-1-ol);propane;titanium.

Molecular Properties

Compound Nametris(butan-1-ol);propane;titanium
PubChem CID150243103
Molecular FormulaC15H37O3Ti-
Molecular Weight313.32 g/mol
Exact Mass313.22
IUPAC Nametris(butan-1-ol);propane;titanium
SMILESCCCCO.CCCCO.CCCCO.[CH2-]CC.[Ti]
InChIInChI=1S/3C4H10O.C3H7.Ti/c3*1-2-3-4-5;1-3-2;/h3*5H,2-4H2,1H3;1,3H2,2H3;/q;;;-1;
InChIKeyHSEVSENLXISEPR-UHFFFAOYSA-N
XLogP3.56
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tris(butan-1-ol);propane;titanium?
The IUPAC name of tris(butan-1-ol);propane;titanium (CID 150243103) is tris(butan-1-ol);propane;titanium.
What is the SMILES notation for tris(butan-1-ol);propane;titanium?
The canonical SMILES for tris(butan-1-ol);propane;titanium is CCCCO.CCCCO.CCCCO.[CH2-]CC.[Ti].
What is the InChIKey of tris(butan-1-ol);propane;titanium?
The InChIKey is HSEVSENLXISEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H10O.C3H7.Ti/c3*1-2-3-4-5;1-3-2;/h3*5H,2-4H2,1H3;1,3H2,2H3;/q;;;-1;.
What are the key properties of tris(butan-1-ol);propane;titanium?
tris(butan-1-ol);propane;titanium has a molecular weight of 313.32 g/mol, XLogP of 3.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(butan-1-ol);propane;titanium is sourced from PubChem (CID 150243103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).