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

C9H20O4 — CID 21325277

IUPAC2-(2-hydroxypropoxy)propan-1-ol;propan-2-one
SMILESCC(C)=O.CC(O)COC(C)CO
InChIInChI=1S/C6H14O3.C3H6O/c1-5(8)4-9-6(2)3-7;1-3(2)4/h5-8H,3-4H2,1-2H3;1-2H3
InChIKeyVBFALSJJAYABTO-UHFFFAOYSA-N
MW192.25 g/mol
LogP0.36
Rot. Bonds4

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

2-(2-hydroxypropoxy)propan-1-ol;propan-2-one (PubChem CID 21325277) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is 2-(2-hydroxypropoxy)propan-1-ol;propan-2-one.

Molecular Properties

Compound Name2-(2-hydroxypropoxy)propan-1-ol;propan-2-one
PubChem CID21325277
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name2-(2-hydroxypropoxy)propan-1-ol;propan-2-one
SMILESCC(C)=O.CC(O)COC(C)CO
InChIInChI=1S/C6H14O3.C3H6O/c1-5(8)4-9-6(2)3-7;1-3(2)4/h5-8H,3-4H2,1-2H3;1-2H3
InChIKeyVBFALSJJAYABTO-UHFFFAOYSA-N
XLogP0.36
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

acetic acid;2-(2-hydroxypropoxy)propan-1-ol;methyl acetate
CID 160726973
2-(2-hydroxypropoxy)propan-1-ol;bis(2-methylprop-2-enoic acid)
CID 57347913
(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;2-methylprop-2-enoic acid;bis(propane-1,2-diol)
CID 175032657
2-(2-hydroxypropoxy)propan-1-ol;2-methylbut-2-ene
CID 174902396
formic acid;2-(2-hydroxypropoxy)propan-1-ol
CID 88614617
2-(2-hydroxypropoxy)propan-1-ol;pentanedioic acid
CID 135332889
butanedioic acid;2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 175203515

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropoxy)propan-1-ol;propan-2-one?
The IUPAC name of 2-(2-hydroxypropoxy)propan-1-ol;propan-2-one (CID 21325277) is 2-(2-hydroxypropoxy)propan-1-ol;propan-2-one.
What is the SMILES notation for 2-(2-hydroxypropoxy)propan-1-ol;propan-2-one?
The canonical SMILES for 2-(2-hydroxypropoxy)propan-1-ol;propan-2-one is CC(C)=O.CC(O)COC(C)CO.
What is the InChIKey of 2-(2-hydroxypropoxy)propan-1-ol;propan-2-one?
The InChIKey is VBFALSJJAYABTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.C3H6O/c1-5(8)4-9-6(2)3-7;1-3(2)4/h5-8H,3-4H2,1-2H3;1-2H3.
What are the key properties of 2-(2-hydroxypropoxy)propan-1-ol;propan-2-one?
2-(2-hydroxypropoxy)propan-1-ol;propan-2-one has a molecular weight of 192.25 g/mol, XLogP of 0.36, 4 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;propan-2-one is sourced from PubChem (CID 21325277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).