2-[1-(2-propoxypropoxy)propan-2-yloxy]propan-1-ol

C12H26O4 — CID 57495087

IUPAC2-[1-(2-propoxypropoxy)propan-2-yloxy]propan-1-ol
SMILESCCCOC(C)COCC(C)OC(C)CO
InChIInChI=1S/C12H26O4/c1-5-6-15-11(3)8-14-9-12(4)16-10(2)7-13/h10-13H,5-9H2,1-4H3
InChIKeyCFLADCJEBDKCEV-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.60
Rot. Bonds10

About 2-[1-(2-propoxypropoxy)propan-2-yloxy]propan-1-ol

2-[1-(2-propoxypropoxy)propan-2-yloxy]propan-1-ol (PubChem CID 57495087) has the molecular formula C12H26O4 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[1-(2-propoxypropoxy)propan-2-yloxy]propan-1-ol.

Molecular Properties

Compound Name2-[1-(2-propoxypropoxy)propan-2-yloxy]propan-1-ol
PubChem CID57495087
Molecular FormulaC12H26O4
Molecular Weight234.34 g/mol
Exact Mass234.18
IUPAC Name2-[1-(2-propoxypropoxy)propan-2-yloxy]propan-1-ol
SMILESCCCOC(C)COCC(C)OC(C)CO
InChIInChI=1S/C12H26O4/c1-5-6-15-11(3)8-14-9-12(4)16-10(2)7-13/h10-13H,5-9H2,1-4H3
InChIKeyCFLADCJEBDKCEV-UHFFFAOYSA-N
XLogP1.60
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-[2-(2-propoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 87591136
2-(1-propoxypropan-2-yloxy)ethanol
CID 59676189
2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane
CID 87065837
2-methoxy-1-(2-propoxypropoxy)propane
CID 174155722
1-(2-propoxypropoxy)pentane
CID 22002926
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-butoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 88651680
2-(1-octoxypropan-2-yloxy)ethanol
CID 59000352
2-(2-hydroxypropoxy)propan-1-ol;1-propoxypropane
CID 23067081
(2S)-2-(2-hydroxyethoxy)propan-1-ol
CID 87093044
1-(1-propoxypropan-2-yloxy)pentane
CID 154093458
2-[2-(2-hexoxypropoxy)propoxy]propan-1-ol
CID 87247027
2-[2-[2-[2-(2-octadecoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 11478535

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-propoxypropoxy)propan-2-yloxy]propan-1-ol?
The IUPAC name of 2-[1-(2-propoxypropoxy)propan-2-yloxy]propan-1-ol (CID 57495087) is 2-[1-(2-propoxypropoxy)propan-2-yloxy]propan-1-ol.
What is the SMILES notation for 2-[1-(2-propoxypropoxy)propan-2-yloxy]propan-1-ol?
The canonical SMILES for 2-[1-(2-propoxypropoxy)propan-2-yloxy]propan-1-ol is CCCOC(C)COCC(C)OC(C)CO.
What is the InChIKey of 2-[1-(2-propoxypropoxy)propan-2-yloxy]propan-1-ol?
The InChIKey is CFLADCJEBDKCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4/c1-5-6-15-11(3)8-14-9-12(4)16-10(2)7-13/h10-13H,5-9H2,1-4H3.
What are the key properties of 2-[1-(2-propoxypropoxy)propan-2-yloxy]propan-1-ol?
2-[1-(2-propoxypropoxy)propan-2-yloxy]propan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 1.60, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-propoxypropoxy)propan-2-yloxy]propan-1-ol is sourced from PubChem (CID 57495087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).