1,3-di(propan-2-yloxy)propan-2-one

C9H18O3 — CID 12839259

IUPAC1,3-di(propan-2-yloxy)propan-2-one
SMILESCC(C)OCC(=O)COC(C)C
InChIInChI=1S/C9H18O3/c1-7(2)11-5-9(10)6-12-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyANKIWUKBWDCEIC-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.41
Rot. Bonds6

About 1,3-di(propan-2-yloxy)propan-2-one

1,3-di(propan-2-yloxy)propan-2-one (PubChem CID 12839259) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1,3-di(propan-2-yloxy)propan-2-one.

Molecular Properties

Compound Name1,3-di(propan-2-yloxy)propan-2-one
PubChem CID12839259
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name1,3-di(propan-2-yloxy)propan-2-one
SMILESCC(C)OCC(=O)COC(C)C
InChIInChI=1S/C9H18O3/c1-7(2)11-5-9(10)6-12-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyANKIWUKBWDCEIC-UHFFFAOYSA-N
XLogP1.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2,3-Bis(2-oxopropoxy)propoxy]propan-2-one
CID 50280
1-Isopropoxyacetone
CID 536431
3-Ethoxybutan-2-one
CID 13609260
1-Ethoxypropan-2-one
CID 12544552
1,3-Dimethoxyacetone
CID 1501888
1,3-Dipentoxypropan-2-one
CID 12430759
1,3-Diethoxyacetone
CID 227346
1-(2-Oxo-propoxy)-propan-2-one
CID 4522660
4,7,11,14-Tetraoxaheptadecan-9-one
CID 129762314
1-(2,2-Dimethylpropoxy)propan-2-one
CID 12778578
3-Propoxybutan-2-one
CID 13609261
1,3-Bis(2-methoxyethoxy)propan-2-one
CID 14893271

Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yloxy)propan-2-one?
The IUPAC name of 1,3-di(propan-2-yloxy)propan-2-one (CID 12839259) is 1,3-di(propan-2-yloxy)propan-2-one.
What is the SMILES notation for 1,3-di(propan-2-yloxy)propan-2-one?
The canonical SMILES for 1,3-di(propan-2-yloxy)propan-2-one is CC(C)OCC(=O)COC(C)C.
What is the InChIKey of 1,3-di(propan-2-yloxy)propan-2-one?
The InChIKey is ANKIWUKBWDCEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-7(2)11-5-9(10)6-12-8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 1,3-di(propan-2-yloxy)propan-2-one?
1,3-di(propan-2-yloxy)propan-2-one has a molecular weight of 174.24 g/mol, XLogP of 1.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yloxy)propan-2-one is sourced from PubChem (CID 12839259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).