1-[1-(1-ethenoxyethoxy)ethoxy]propan-2-ol

C9H18O4 — CID 139914790

IUPAC1-[1-(1-ethenoxyethoxy)ethoxy]propan-2-ol
SMILESC=COC(C)OC(C)OCC(C)O
InChIInChI=1S/C9H18O4/c1-5-11-8(3)13-9(4)12-6-7(2)10/h5,7-10H,1,6H2,2-4H3
InChIKeyZQZQNOQSAUWSGA-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.25
Rot. Bonds7

About 1-[1-(1-ethenoxyethoxy)ethoxy]propan-2-ol

1-[1-(1-ethenoxyethoxy)ethoxy]propan-2-ol (PubChem CID 139914790) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-[1-(1-ethenoxyethoxy)ethoxy]propan-2-ol.

Molecular Properties

Compound Name1-[1-(1-ethenoxyethoxy)ethoxy]propan-2-ol
PubChem CID139914790
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name1-[1-(1-ethenoxyethoxy)ethoxy]propan-2-ol
SMILESC=COC(C)OC(C)OCC(C)O
InChIInChI=1S/C9H18O4/c1-5-11-8(3)13-9(4)12-6-7(2)10/h5,7-10H,1,6H2,2-4H3
InChIKeyZQZQNOQSAUWSGA-UHFFFAOYSA-N
XLogP1.25
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1,3,3-Tetraethoxypropan-2-ol
CID 13625221
3-(2,2-Diethoxyethoxy)propane-1,2-diol
CID 15582204
(2R)-1,1-Diethoxy-3-methoxy-2-propanol
CID 14079965
3-(2,2-Dipropoxyethoxy)propane-1,2-diol
CID 15582205
3-[2,2-Di(propan-2-yloxy)ethoxy]propane-1,2-diol
CID 15582206
(2S)-3,3-di(propan-2-yloxy)propane-1,2-diol
CID 101417396
3,3-Di(propan-2-yloxy)propane-1,2-diol
CID 135075769
2-[2-Methoxy-1-methylethoxy-(2-ethoxy)]ethanol
CID 53446921
2-[2-Ethoxy-2-(2-methoxypropoxy)ethoxy]ethanol
CID 170842342
1-[2-(2-Ethoxy-2-methoxy-2-propan-2-yloxyethoxy)ethoxy]ethanol
CID 170842343
4-(1-Ethoxy-2-hydroxypropoxy)but-2-yn-1-ol
CID 170848792
2-{3,3-Bis[(propan-2-yl)oxy]propoxy}ethan-1-ol
CID 13183695

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-ethenoxyethoxy)ethoxy]propan-2-ol?
The IUPAC name of 1-[1-(1-ethenoxyethoxy)ethoxy]propan-2-ol (CID 139914790) is 1-[1-(1-ethenoxyethoxy)ethoxy]propan-2-ol.
What is the SMILES notation for 1-[1-(1-ethenoxyethoxy)ethoxy]propan-2-ol?
The canonical SMILES for 1-[1-(1-ethenoxyethoxy)ethoxy]propan-2-ol is C=COC(C)OC(C)OCC(C)O.
What is the InChIKey of 1-[1-(1-ethenoxyethoxy)ethoxy]propan-2-ol?
The InChIKey is ZQZQNOQSAUWSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-5-11-8(3)13-9(4)12-6-7(2)10/h5,7-10H,1,6H2,2-4H3.
What are the key properties of 1-[1-(1-ethenoxyethoxy)ethoxy]propan-2-ol?
1-[1-(1-ethenoxyethoxy)ethoxy]propan-2-ol has a molecular weight of 190.24 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-ethenoxyethoxy)ethoxy]propan-2-ol is sourced from PubChem (CID 139914790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).