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

C9H22O4 — CID 87090145

IUPAC2-(2-hydroxypropoxy)propan-1-ol;methoxyethane
SMILESCC(O)COC(C)CO.CCOC
InChIInChI=1S/C6H14O3.C3H8O/c1-5(8)4-9-6(2)3-7;1-3-4-2/h5-8H,3-4H2,1-2H3;3H2,1-2H3
InChIKeyDPJDEAJUTUANMH-UHFFFAOYSA-N
MW194.27 g/mol
LogP0.42
Rot. Bonds5

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

2-(2-hydroxypropoxy)propan-1-ol;methoxyethane (PubChem CID 87090145) has the molecular formula C9H22O4 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-(2-hydroxypropoxy)propan-1-ol;methoxyethane.

Molecular Properties

Compound Name2-(2-hydroxypropoxy)propan-1-ol;methoxyethane
PubChem CID87090145
Molecular FormulaC9H22O4
Molecular Weight194.27 g/mol
Exact Mass194.15
IUPAC Name2-(2-hydroxypropoxy)propan-1-ol;methoxyethane
SMILESCC(O)COC(C)CO.CCOC
InChIInChI=1S/C6H14O3.C3H8O/c1-5(8)4-9-6(2)3-7;1-3-4-2/h5-8H,3-4H2,1-2H3;3H2,1-2H3
InChIKeyDPJDEAJUTUANMH-UHFFFAOYSA-N
XLogP0.42
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxypropoxy)propan-1-ol;2-methoxypropane
CID 87458381
2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 57250995
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 135398128
(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-ethoxypropane;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 134346005
1-ethoxypropan-2-ol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 161457243
2-(2-hydroxypropoxy)propan-1-ol;propan-2-one
CID 21325277
2-(2-hydroxypropoxy)propan-1-ol;1-propoxypropane
CID 23067081
1-ethoxy-2-(2-ethoxypropoxy)propane;2-(2-hydroxypropoxy)propan-1-ol
CID 157472623
2-(2-hydroxypropoxy)propan-1-ol;2-methylbut-2-ene
CID 174902396

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropoxy)propan-1-ol;methoxyethane?
The IUPAC name of 2-(2-hydroxypropoxy)propan-1-ol;methoxyethane (CID 87090145) is 2-(2-hydroxypropoxy)propan-1-ol;methoxyethane.
What is the SMILES notation for 2-(2-hydroxypropoxy)propan-1-ol;methoxyethane?
The canonical SMILES for 2-(2-hydroxypropoxy)propan-1-ol;methoxyethane is CC(O)COC(C)CO.CCOC.
What is the InChIKey of 2-(2-hydroxypropoxy)propan-1-ol;methoxyethane?
The InChIKey is DPJDEAJUTUANMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.C3H8O/c1-5(8)4-9-6(2)3-7;1-3-4-2/h5-8H,3-4H2,1-2H3;3H2,1-2H3.
What are the key properties of 2-(2-hydroxypropoxy)propan-1-ol;methoxyethane?
2-(2-hydroxypropoxy)propan-1-ol;methoxyethane has a molecular weight of 194.27 g/mol, XLogP of 0.42, 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;methoxyethane is sourced from PubChem (CID 87090145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).