1,4-dioxane;2-(2-hydroxypropoxy)propan-1-ol

C10H22O5 — CID 160854185

IUPAC1,4-dioxane;2-(2-hydroxypropoxy)propan-1-ol
SMILESC1COCCO1.CC(O)COC(C)CO
InChIInChI=1S/C6H14O3.C4H8O2/c1-5(8)4-9-6(2)3-7;1-2-6-4-3-5-1/h5-8H,3-4H2,1-2H3;1-4H2
InChIKeySJQPHJWTJAMYNV-UHFFFAOYSA-N
MW222.28 g/mol
LogP-0.20
Rot. Bonds4

About 1,4-dioxane;2-(2-hydroxypropoxy)propan-1-ol

1,4-dioxane;2-(2-hydroxypropoxy)propan-1-ol (PubChem CID 160854185) has the molecular formula C10H22O5 and a molecular weight of 222.28 g/mol. Its IUPAC name is 1,4-dioxane;2-(2-hydroxypropoxy)propan-1-ol.

Molecular Properties

Compound Name1,4-dioxane;2-(2-hydroxypropoxy)propan-1-ol
PubChem CID160854185
Molecular FormulaC10H22O5
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Name1,4-dioxane;2-(2-hydroxypropoxy)propan-1-ol
SMILESC1COCCO1.CC(O)COC(C)CO
InChIInChI=1S/C6H14O3.C4H8O2/c1-5(8)4-9-6(2)3-7;1-2-6-4-3-5-1/h5-8H,3-4H2,1-2H3;1-4H2
InChIKeySJQPHJWTJAMYNV-UHFFFAOYSA-N
XLogP-0.20
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 135398128
2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 57250995
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 52944184
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 129258007
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 22051694
2-(2-hydroxypropoxy)propan-1-ol;propan-2-one
CID 21325277
2-(2-hydroxypropoxy)propan-1-ol;2-methoxypropane
CID 87458381
formic acid;2-(2-hydroxypropoxy)propan-1-ol
CID 88614617
2-(2-hydroxypropoxy)propan-1-ol;2-methylbut-2-ene
CID 174902396
boric acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 175051763
2-(2-hydroxypropoxy)propan-1-ol;methoxyethane
CID 87090145
2-(2-hydroxypropoxy)propan-1-ol;2-methyl-1-propan-2-yloxypropane
CID 174682815

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxane;2-(2-hydroxypropoxy)propan-1-ol?
The IUPAC name of 1,4-dioxane;2-(2-hydroxypropoxy)propan-1-ol (CID 160854185) is 1,4-dioxane;2-(2-hydroxypropoxy)propan-1-ol.
What is the SMILES notation for 1,4-dioxane;2-(2-hydroxypropoxy)propan-1-ol?
The canonical SMILES for 1,4-dioxane;2-(2-hydroxypropoxy)propan-1-ol is C1COCCO1.CC(O)COC(C)CO.
What is the InChIKey of 1,4-dioxane;2-(2-hydroxypropoxy)propan-1-ol?
The InChIKey is SJQPHJWTJAMYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.C4H8O2/c1-5(8)4-9-6(2)3-7;1-2-6-4-3-5-1/h5-8H,3-4H2,1-2H3;1-4H2.
What are the key properties of 1,4-dioxane;2-(2-hydroxypropoxy)propan-1-ol?
1,4-dioxane;2-(2-hydroxypropoxy)propan-1-ol has a molecular weight of 222.28 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxane;2-(2-hydroxypropoxy)propan-1-ol is sourced from PubChem (CID 160854185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).