barium(2+);ethoxyethane;titanium;tetrahydroxide

C4H14BaO5Ti-2 — CID 18003952

IUPACbarium(2+);ethoxyethane;titanium;tetrahydroxide
SMILESCCOCC.[Ba+2].[OH-].[OH-].[OH-].[OH-].[Ti]
InChIInChI=1S/C4H10O.Ba.4H2O.Ti/c1-3-5-4-2;;;;;;/h3-4H2,1-2H3;;4*1H2;/q;+2;;;;;/p-4
InChIKeyRRYKVHOMGVSFKL-UHFFFAOYSA-J
MW327.35 g/mol
LogP-0.05
Rot. Bonds2

About barium(2+);ethoxyethane;titanium;tetrahydroxide

barium(2+);ethoxyethane;titanium;tetrahydroxide (PubChem CID 18003952) has the molecular formula C4H14BaO5Ti-2 and a molecular weight of 327.35 g/mol. Its IUPAC name is barium(2+);ethoxyethane;titanium;tetrahydroxide.

Molecular Properties

Compound Namebarium(2+);ethoxyethane;titanium;tetrahydroxide
PubChem CID18003952
Molecular FormulaC4H14BaO5Ti-2
Molecular Weight327.35 g/mol
Exact Mass327.94
IUPAC Namebarium(2+);ethoxyethane;titanium;tetrahydroxide
SMILESCCOCC.[Ba+2].[OH-].[OH-].[OH-].[OH-].[Ti]
InChIInChI=1S/C4H10O.Ba.4H2O.Ti/c1-3-5-4-2;;;;;;/h3-4H2,1-2H3;;4*1H2;/q;+2;;;;;/p-4
InChIKeyRRYKVHOMGVSFKL-UHFFFAOYSA-J
XLogP-0.05
TPSA129.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethoxyethane;titanium;trihydrochloride
CID 173160344
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
ethoxyethane;sulfane
CID 90240371
ethoxyethane;sulfane
CID 87243372
ethoxyethane;pentahydrate
CID 141041283
disodium;ethoxyethane
CID 23107014
ethoxyethane;hydrate
CID 22594236
CID 135083812
CID 135083812
ethoxyethane;molybdenum;tetrahydrochloride
CID 174873486
aluminum;ethoxyethane;triiodide
CID 173390625
lithium;ethoxyethane;chloride
CID 175344978

Frequently Asked Questions

What is the IUPAC name of barium(2+);ethoxyethane;titanium;tetrahydroxide?
The IUPAC name of barium(2+);ethoxyethane;titanium;tetrahydroxide (CID 18003952) is barium(2+);ethoxyethane;titanium;tetrahydroxide.
What is the SMILES notation for barium(2+);ethoxyethane;titanium;tetrahydroxide?
The canonical SMILES for barium(2+);ethoxyethane;titanium;tetrahydroxide is CCOCC.[Ba+2].[OH-].[OH-].[OH-].[OH-].[Ti].
What is the InChIKey of barium(2+);ethoxyethane;titanium;tetrahydroxide?
The InChIKey is RRYKVHOMGVSFKL-UHFFFAOYSA-J. The full InChI is InChI=1S/C4H10O.Ba.4H2O.Ti/c1-3-5-4-2;;;;;;/h3-4H2,1-2H3;;4*1H2;/q;+2;;;;;/p-4.
What are the key properties of barium(2+);ethoxyethane;titanium;tetrahydroxide?
barium(2+);ethoxyethane;titanium;tetrahydroxide has a molecular weight of 327.35 g/mol, XLogP of -0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);ethoxyethane;titanium;tetrahydroxide is sourced from PubChem (CID 18003952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).