bis(2-oxopropyl acetate);bis(propan-1-olate);titanium(2+)

C16H30O8Ti — CID 160735556

IUPACbis(2-oxopropyl acetate);bis(propan-1-olate);titanium(2+)
SMILESCC(=O)COC(C)=O.CC(=O)COC(C)=O.CCC[O-].CCC[O-].[Ti+2]
InChIInChI=1S/2C5H8O3.2C3H7O.Ti/c2*1-4(6)3-8-5(2)7;2*1-2-3-4;/h2*3H2,1-2H3;2*2-3H2,1H3;/q;;2*-1;+2
InChIKeyRUXAHEWTDBXKFZ-UHFFFAOYSA-N
MW398.28 g/mol
LogP-0.21
Rot. Bonds6

About bis(2-oxopropyl acetate);bis(propan-1-olate);titanium(2+)

bis(2-oxopropyl acetate);bis(propan-1-olate);titanium(2+) (PubChem CID 160735556) has the molecular formula C16H30O8Ti and a molecular weight of 398.28 g/mol. Its IUPAC name is bis(2-oxopropyl acetate);bis(propan-1-olate);titanium(2+).

Molecular Properties

Compound Namebis(2-oxopropyl acetate);bis(propan-1-olate);titanium(2+)
PubChem CID160735556
Molecular FormulaC16H30O8Ti
Molecular Weight398.28 g/mol
Exact Mass398.14
IUPAC Namebis(2-oxopropyl acetate);bis(propan-1-olate);titanium(2+)
SMILESCC(=O)COC(C)=O.CC(=O)COC(C)=O.CCC[O-].CCC[O-].[Ti+2]
InChIInChI=1S/2C5H8O3.2C3H7O.Ti/c2*1-4(6)3-8-5(2)7;2*1-2-3-4;/h2*3H2,1-2H3;2*2-3H2,1H3;/q;;2*-1;+2
InChIKeyRUXAHEWTDBXKFZ-UHFFFAOYSA-N
XLogP-0.21
TPSA132.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.28
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Diethyl oxalate acetone
CID 129657582
8,12,14,18-Tetramethyl-1,4,7,10,13,16-hexaoxacyclooctadecane-2,6-dione
CID 326434
Bis-but-2,3-diyl bis(3-oxa-pentanedioate
CID 575175
Methyl 2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]acetate
CID 20654316
2-Methoxyethyl 2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]acetate
CID 21348301
2-Methoxyethyl 2-[2-(2-oxopropoxy)ethoxy]acetate
CID 21348302
2-Oxobutyl acetate;2-oxopropyl acetate
CID 22378598
Butyl 2-oxopropanoate;propyl 2-oxopropanoate
CID 22594680
3-[3-[3-(2-Oxobutanoyloxy)propoxy]propoxy]propyl 2-oxobutanoate
CID 57014089
2-Oxopropyl 2-[2-[2-(2-methoxyethoxy)-2-oxoethoxy]-2-oxoethoxy]acetate
CID 57626846
Ethyl acetate;1-methoxypropan-2-one;2-oxopropyl acetate;bis(yttrium)
CID 58264582
CID 87621534
CID 87621534

Frequently Asked Questions

What is the IUPAC name of bis(2-oxopropyl acetate);bis(propan-1-olate);titanium(2+)?
The IUPAC name of bis(2-oxopropyl acetate);bis(propan-1-olate);titanium(2+) (CID 160735556) is bis(2-oxopropyl acetate);bis(propan-1-olate);titanium(2+).
What is the SMILES notation for bis(2-oxopropyl acetate);bis(propan-1-olate);titanium(2+)?
The canonical SMILES for bis(2-oxopropyl acetate);bis(propan-1-olate);titanium(2+) is CC(=O)COC(C)=O.CC(=O)COC(C)=O.CCC[O-].CCC[O-].[Ti+2].
What is the InChIKey of bis(2-oxopropyl acetate);bis(propan-1-olate);titanium(2+)?
The InChIKey is RUXAHEWTDBXKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H8O3.2C3H7O.Ti/c2*1-4(6)3-8-5(2)7;2*1-2-3-4;/h2*3H2,1-2H3;2*2-3H2,1H3;/q;;2*-1;+2.
What are the key properties of bis(2-oxopropyl acetate);bis(propan-1-olate);titanium(2+)?
bis(2-oxopropyl acetate);bis(propan-1-olate);titanium(2+) has a molecular weight of 398.28 g/mol, XLogP of -0.21, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-oxopropyl acetate);bis(propan-1-olate);titanium(2+) is sourced from PubChem (CID 160735556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).