ethane;ethanol;titanium(3+)

C8H21OTi — CID 139843114

IUPACethane;ethanol;titanium(3+)
SMILESCCO.[CH2-]C.[CH2-]C.[CH2-]C.[Ti+3]
InChIInChI=1S/C2H6O.3C2H5.Ti/c1-2-3;3*1-2;/h3H,2H2,1H3;3*1H2,2H3;/q;3*-1;+3
InChIKeyXKYFOOAOPLQVMN-UHFFFAOYSA-N
MW181.12 g/mol
LogP2.52
Rot. Bonds

About ethane;ethanol;titanium(3+)

ethane;ethanol;titanium(3+) (PubChem CID 139843114) has the molecular formula C8H21OTi and a molecular weight of 181.12 g/mol. Its IUPAC name is ethane;ethanol;titanium(3+).

Molecular Properties

Compound Nameethane;ethanol;titanium(3+)
PubChem CID139843114
Molecular FormulaC8H21OTi
Molecular Weight181.12 g/mol
Exact Mass181.11
IUPAC Nameethane;ethanol;titanium(3+)
SMILESCCO.[CH2-]C.[CH2-]C.[CH2-]C.[Ti+3]
InChIInChI=1S/C2H6O.3C2H5.Ti/c1-2-3;3*1-2;/h3H,2H2,1H3;3*1H2,2H3;/q;3*-1;+3
InChIKeyXKYFOOAOPLQVMN-UHFFFAOYSA-N
XLogP2.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.12
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;ethanol;zirconium(2+)
CID 23068931
ethanol;titanium(3+);trichloride
CID 159962345
ethanol;heptahydrate
CID 57434370
ethanol;titanium
CID 25200198
ethanol;methanol
CID 157119827
ethanol;phosphane
CID 159788730
ethanol;tin(2+)
CID 162004830
ethanol;stibane
CID 170920077
ethanol;hydron
CID 174459614
ethanol iodide
CID 22987629
ethanol;propane
CID 158736248
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CID 173204929

Frequently Asked Questions

What is the IUPAC name of ethane;ethanol;titanium(3+)?
The IUPAC name of ethane;ethanol;titanium(3+) (CID 139843114) is ethane;ethanol;titanium(3+).
What is the SMILES notation for ethane;ethanol;titanium(3+)?
The canonical SMILES for ethane;ethanol;titanium(3+) is CCO.[CH2-]C.[CH2-]C.[CH2-]C.[Ti+3].
What is the InChIKey of ethane;ethanol;titanium(3+)?
The InChIKey is XKYFOOAOPLQVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.3C2H5.Ti/c1-2-3;3*1-2;/h3H,2H2,1H3;3*1H2,2H3;/q;3*-1;+3.
What are the key properties of ethane;ethanol;titanium(3+)?
ethane;ethanol;titanium(3+) has a molecular weight of 181.12 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethanol;titanium(3+) is sourced from PubChem (CID 139843114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).