tris(butan-1-ol);2-methylbutane;titanium

C17H41O3Ti- — CID 87900303

IUPACtris(butan-1-ol);2-methylbutane;titanium
SMILESCCCCO.CCCCO.CCCCO.CC[C-](C)C.[Ti]
InChIInChI=1S/C5H11.3C4H10O.Ti/c1-4-5(2)3;3*1-2-3-4-5;/h4H2,1-3H3;3*5H,2-4H2,1H3;/q-1;;;;
InChIKeyMAVJVXXTLMGPHW-UHFFFAOYSA-N
MW341.38 g/mol
LogP4.34
Rot. Bonds7

About tris(butan-1-ol);2-methylbutane;titanium

tris(butan-1-ol);2-methylbutane;titanium (PubChem CID 87900303) has the molecular formula C17H41O3Ti- and a molecular weight of 341.38 g/mol. Its IUPAC name is tris(butan-1-ol);2-methylbutane;titanium.

Molecular Properties

Compound Nametris(butan-1-ol);2-methylbutane;titanium
PubChem CID87900303
Molecular FormulaC17H41O3Ti-
Molecular Weight341.38 g/mol
Exact Mass341.25
IUPAC Nametris(butan-1-ol);2-methylbutane;titanium
SMILESCCCCO.CCCCO.CCCCO.CC[C-](C)C.[Ti]
InChIInChI=1S/C5H11.3C4H10O.Ti/c1-4-5(2)3;3*1-2-3-4-5;/h4H2,1-3H3;3*5H,2-4H2,1H3;/q-1;;;;
InChIKeyMAVJVXXTLMGPHW-UHFFFAOYSA-N
XLogP4.34
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 54.34
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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tris(butan-1-ol);zirconium
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Frequently Asked Questions

What is the IUPAC name of tris(butan-1-ol);2-methylbutane;titanium?
The IUPAC name of tris(butan-1-ol);2-methylbutane;titanium (CID 87900303) is tris(butan-1-ol);2-methylbutane;titanium.
What is the SMILES notation for tris(butan-1-ol);2-methylbutane;titanium?
The canonical SMILES for tris(butan-1-ol);2-methylbutane;titanium is CCCCO.CCCCO.CCCCO.CC[C-](C)C.[Ti].
What is the InChIKey of tris(butan-1-ol);2-methylbutane;titanium?
The InChIKey is MAVJVXXTLMGPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11.3C4H10O.Ti/c1-4-5(2)3;3*1-2-3-4-5;/h4H2,1-3H3;3*5H,2-4H2,1H3;/q-1;;;;.
What are the key properties of tris(butan-1-ol);2-methylbutane;titanium?
tris(butan-1-ol);2-methylbutane;titanium has a molecular weight of 341.38 g/mol, XLogP of 4.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(butan-1-ol);2-methylbutane;titanium is sourced from PubChem (CID 87900303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).