2-(2-hydroxypropoxy)propan-1-ol;2-methoxypropane

C10H24O4 — CID 87458381

IUPAC2-(2-hydroxypropoxy)propan-1-ol;2-methoxypropane
SMILESCC(O)COC(C)CO.COC(C)C
InChIInChI=1S/C6H14O3.C4H10O/c1-5(8)4-9-6(2)3-7;1-4(2)5-3/h5-8H,3-4H2,1-2H3;4H,1-3H3
InChIKeyQGBMAKGYRNREHJ-UHFFFAOYSA-N
MW208.30 g/mol
LogP0.81
Rot. Bonds5

About 2-(2-hydroxypropoxy)propan-1-ol;2-methoxypropane

2-(2-hydroxypropoxy)propan-1-ol;2-methoxypropane (PubChem CID 87458381) has the molecular formula C10H24O4 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(2-hydroxypropoxy)propan-1-ol;2-methoxypropane.

Molecular Properties

Compound Name2-(2-hydroxypropoxy)propan-1-ol;2-methoxypropane
PubChem CID87458381
Molecular FormulaC10H24O4
Molecular Weight208.30 g/mol
Exact Mass208.17
IUPAC Name2-(2-hydroxypropoxy)propan-1-ol;2-methoxypropane
SMILESCC(O)COC(C)CO.COC(C)C
InChIInChI=1S/C6H14O3.C4H10O/c1-5(8)4-9-6(2)3-7;1-4(2)5-3/h5-8H,3-4H2,1-2H3;4H,1-3H3
InChIKeyQGBMAKGYRNREHJ-UHFFFAOYSA-N
XLogP0.81
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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;methoxyethane
CID 87090145
2-(2-hydroxypropoxy)propan-1-ol;2-methyl-1-propan-2-yloxypropane
CID 174682815
2-(2-methoxypropoxy)propan-1-ol;propane-1,2-diol
CID 87149453
2-(2-hydroxypropoxy)propan-1-ol;propan-2-one
CID 21325277
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropoxy)propan-1-ol;2-methoxypropane?
The IUPAC name of 2-(2-hydroxypropoxy)propan-1-ol;2-methoxypropane (CID 87458381) is 2-(2-hydroxypropoxy)propan-1-ol;2-methoxypropane.
What is the SMILES notation for 2-(2-hydroxypropoxy)propan-1-ol;2-methoxypropane?
The canonical SMILES for 2-(2-hydroxypropoxy)propan-1-ol;2-methoxypropane is CC(O)COC(C)CO.COC(C)C.
What is the InChIKey of 2-(2-hydroxypropoxy)propan-1-ol;2-methoxypropane?
The InChIKey is QGBMAKGYRNREHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.C4H10O/c1-5(8)4-9-6(2)3-7;1-4(2)5-3/h5-8H,3-4H2,1-2H3;4H,1-3H3.
What are the key properties of 2-(2-hydroxypropoxy)propan-1-ol;2-methoxypropane?
2-(2-hydroxypropoxy)propan-1-ol;2-methoxypropane has a molecular weight of 208.30 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropoxy)propan-1-ol;2-methoxypropane is sourced from PubChem (CID 87458381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).