ethane;tris(propan-1-ol);titanium

C11H29O3Ti- — CID 139825357

IUPACethane;tris(propan-1-ol);titanium
SMILESCCCO.CCCO.CCCO.[CH2-]C.[Ti]
InChIInChI=1S/3C3H8O.C2H5.Ti/c3*1-2-3-4;1-2;/h3*4H,2-3H2,1H3;1H2,2H3;/q;;;-1;
InChIKeyZNGZVEMUNSRLHN-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.00
Rot. Bonds3

About ethane;tris(propan-1-ol);titanium

ethane;tris(propan-1-ol);titanium (PubChem CID 139825357) has the molecular formula C11H29O3Ti- and a molecular weight of 257.22 g/mol. Its IUPAC name is ethane;tris(propan-1-ol);titanium.

Molecular Properties

Compound Nameethane;tris(propan-1-ol);titanium
PubChem CID139825357
Molecular FormulaC11H29O3Ti-
Molecular Weight257.22 g/mol
Exact Mass257.16
IUPAC Nameethane;tris(propan-1-ol);titanium
SMILESCCCO.CCCO.CCCO.[CH2-]C.[Ti]
InChIInChI=1S/3C3H8O.C2H5.Ti/c3*1-2-3-4;1-2;/h3*4H,2-3H2,1H3;1H2,2H3;/q;;;-1;
InChIKeyZNGZVEMUNSRLHN-UHFFFAOYSA-N
XLogP2.00
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.00
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 ethane;tris(propan-1-ol);titanium?
The IUPAC name of ethane;tris(propan-1-ol);titanium (CID 139825357) is ethane;tris(propan-1-ol);titanium.
What is the SMILES notation for ethane;tris(propan-1-ol);titanium?
The canonical SMILES for ethane;tris(propan-1-ol);titanium is CCCO.CCCO.CCCO.[CH2-]C.[Ti].
What is the InChIKey of ethane;tris(propan-1-ol);titanium?
The InChIKey is ZNGZVEMUNSRLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H8O.C2H5.Ti/c3*1-2-3-4;1-2;/h3*4H,2-3H2,1H3;1H2,2H3;/q;;;-1;.
What are the key properties of ethane;tris(propan-1-ol);titanium?
ethane;tris(propan-1-ol);titanium has a molecular weight of 257.22 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;tris(propan-1-ol);titanium is sourced from PubChem (CID 139825357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).