ethoxyethane;bis(2-ethoxyethanol);oxotitanium(2+)

C16H38O7Ti — CID 88817270

IUPACethoxyethane;bis(2-ethoxyethanol);oxotitanium(2+)
SMILESCCOCCO.CCOCCO.O=[Ti+2].[CH2-]COCC.[CH2-]COCC
InChIInChI=1S/2C4H10O2.2C4H9O.O.Ti/c2*1-2-6-4-3-5;2*1-3-5-4-2;;/h2*5H,2-4H2,1H3;2*1,3-4H2,2H3;;/q;;2*-1;;+2
InChIKeyYUUSJFTWYUSYLE-UHFFFAOYSA-N
MW390.34 g/mol
LogP1.62
Rot. Bonds10

About ethoxyethane;bis(2-ethoxyethanol);oxotitanium(2+)

ethoxyethane;bis(2-ethoxyethanol);oxotitanium(2+) (PubChem CID 88817270) has the molecular formula C16H38O7Ti and a molecular weight of 390.34 g/mol. Its IUPAC name is ethoxyethane;bis(2-ethoxyethanol);oxotitanium(2+).

Molecular Properties

Compound Nameethoxyethane;bis(2-ethoxyethanol);oxotitanium(2+)
PubChem CID88817270
Molecular FormulaC16H38O7Ti
Molecular Weight390.34 g/mol
Exact Mass390.21
IUPAC Nameethoxyethane;bis(2-ethoxyethanol);oxotitanium(2+)
SMILESCCOCCO.CCOCCO.O=[Ti+2].[CH2-]COCC.[CH2-]COCC
InChIInChI=1S/2C4H10O2.2C4H9O.O.Ti/c2*1-2-6-4-3-5;2*1-3-5-4-2;;/h2*5H,2-4H2,1H3;2*1,3-4H2,2H3;;/q;;2*-1;;+2
InChIKeyYUUSJFTWYUSYLE-UHFFFAOYSA-N
XLogP1.62
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxyethane;bis(2-ethoxyethanol);oxotitanium(2+)?
The IUPAC name of ethoxyethane;bis(2-ethoxyethanol);oxotitanium(2+) (CID 88817270) is ethoxyethane;bis(2-ethoxyethanol);oxotitanium(2+).
What is the SMILES notation for ethoxyethane;bis(2-ethoxyethanol);oxotitanium(2+)?
The canonical SMILES for ethoxyethane;bis(2-ethoxyethanol);oxotitanium(2+) is CCOCCO.CCOCCO.O=[Ti+2].[CH2-]COCC.[CH2-]COCC.
What is the InChIKey of ethoxyethane;bis(2-ethoxyethanol);oxotitanium(2+)?
The InChIKey is YUUSJFTWYUSYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10O2.2C4H9O.O.Ti/c2*1-2-6-4-3-5;2*1-3-5-4-2;;/h2*5H,2-4H2,1H3;2*1,3-4H2,2H3;;/q;;2*-1;;+2.
What are the key properties of ethoxyethane;bis(2-ethoxyethanol);oxotitanium(2+)?
ethoxyethane;bis(2-ethoxyethanol);oxotitanium(2+) has a molecular weight of 390.34 g/mol, XLogP of 1.62, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;bis(2-ethoxyethanol);oxotitanium(2+) is sourced from PubChem (CID 88817270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).