1-[2-(1-hydroxypropoxy)propoxy]propan-1-ol

C9H20O4 — CID 22833317

IUPAC1-[2-(1-hydroxypropoxy)propoxy]propan-1-ol
SMILESCCC(O)OCC(C)OC(O)CC
InChIInChI=1S/C9H20O4/c1-4-8(10)12-6-7(3)13-9(11)5-2/h7-11H,4-6H2,1-3H3
InChIKeySNAJJYBUNRAGEF-UHFFFAOYSA-N
MW192.25 g/mol
LogP0.86
Rot. Bonds7

About 1-[2-(1-hydroxypropoxy)propoxy]propan-1-ol

1-[2-(1-hydroxypropoxy)propoxy]propan-1-ol (PubChem CID 22833317) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is 1-[2-(1-hydroxypropoxy)propoxy]propan-1-ol.

Molecular Properties

Compound Name1-[2-(1-hydroxypropoxy)propoxy]propan-1-ol
PubChem CID22833317
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name1-[2-(1-hydroxypropoxy)propoxy]propan-1-ol
SMILESCCC(O)OCC(C)OC(O)CC
InChIInChI=1S/C9H20O4/c1-4-8(10)12-6-7(3)13-9(11)5-2/h7-11H,4-6H2,1-3H3
InChIKeySNAJJYBUNRAGEF-UHFFFAOYSA-N
XLogP0.86
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(1-hydroxypropoxy)propoxy]propan-1-ol;2-methylprop-2-enoic acid
CID 174847356
(1R)-1-[(2R)-butan-2-yl]oxypropan-1-ol
CID 88904720
2-(1-hydroxypropoxy)ethane-1,1-diol
CID 91378694
1-(1-hydroxypropoxy)propan-1-ol;1-(2-hydroxypropoxy)propan-2-ol
CID 57483531
2-(1-hydroxypropoxy)propane-1,1-diol
CID 91224163
2-[2-(2,2,4-trimethylhexan-3-yloxy)propoxy]propan-1-ol
CID 142712602
1,3-di(butan-2-yloxy)propan-2-ol
CID 22072723
1-propoxypropan-1-ol;hydrate
CID 174406445
1-(2-fluoroethoxy)propan-1-ol
CID 142878325
1-(2-aminoethoxy)propan-1-ol
CID 87147915
1-[3-[3-(2-methylpropoxy)propoxy]propoxy]propan-1-ol
CID 3018441
2-butan-2-yloxybutane;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 87745303

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-hydroxypropoxy)propoxy]propan-1-ol?
The IUPAC name of 1-[2-(1-hydroxypropoxy)propoxy]propan-1-ol (CID 22833317) is 1-[2-(1-hydroxypropoxy)propoxy]propan-1-ol.
What is the SMILES notation for 1-[2-(1-hydroxypropoxy)propoxy]propan-1-ol?
The canonical SMILES for 1-[2-(1-hydroxypropoxy)propoxy]propan-1-ol is CCC(O)OCC(C)OC(O)CC.
What is the InChIKey of 1-[2-(1-hydroxypropoxy)propoxy]propan-1-ol?
The InChIKey is SNAJJYBUNRAGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4/c1-4-8(10)12-6-7(3)13-9(11)5-2/h7-11H,4-6H2,1-3H3.
What are the key properties of 1-[2-(1-hydroxypropoxy)propoxy]propan-1-ol?
1-[2-(1-hydroxypropoxy)propoxy]propan-1-ol has a molecular weight of 192.25 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-hydroxypropoxy)propoxy]propan-1-ol is sourced from PubChem (CID 22833317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).