acetic acid;2-(2-hydroxypropoxy)propan-1-ol;methyl acetate

C11H24O7 — CID 160726973

IUPACacetic acid;2-(2-hydroxypropoxy)propan-1-ol;methyl acetate
SMILESCC(=O)O.CC(O)COC(C)CO.COC(C)=O
InChIInChI=1S/C6H14O3.C3H6O2.C2H4O2/c1-5(8)4-9-6(2)3-7;1-3(4)5-2;1-2(3)4/h5-8H,3-4H2,1-2H3;1-2H3;1H3,(H,3,4)
InChIKeyRTVKWAOWJMVQEK-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.03
Rot. Bonds4

About acetic acid;2-(2-hydroxypropoxy)propan-1-ol;methyl acetate

acetic acid;2-(2-hydroxypropoxy)propan-1-ol;methyl acetate (PubChem CID 160726973) has the molecular formula C11H24O7 and a molecular weight of 268.31 g/mol. Its IUPAC name is acetic acid;2-(2-hydroxypropoxy)propan-1-ol;methyl acetate.

Molecular Properties

Compound Nameacetic acid;2-(2-hydroxypropoxy)propan-1-ol;methyl acetate
PubChem CID160726973
Molecular FormulaC11H24O7
Molecular Weight268.31 g/mol
Exact Mass268.15
IUPAC Nameacetic acid;2-(2-hydroxypropoxy)propan-1-ol;methyl acetate
SMILESCC(=O)O.CC(O)COC(C)CO.COC(C)=O
InChIInChI=1S/C6H14O3.C3H6O2.C2H4O2/c1-5(8)4-9-6(2)3-7;1-3(4)5-2;1-2(3)4/h5-8H,3-4H2,1-2H3;1-2H3;1H3,(H,3,4)
InChIKeyRTVKWAOWJMVQEK-UHFFFAOYSA-N
XLogP0.03
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-hydroxypropoxy)propan-1-ol;propan-2-one
CID 21325277
2-(2-hydroxypropoxy)propan-1-ol;bis(2-methylprop-2-enoic acid)
CID 57347913
acetic acid;butanoic acid;2-(2-hydroxypropoxy)propan-1-ol
CID 87075600
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-methoxypropane
CID 87458381
butanedioic acid;2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 175203515
2-(2-hydroxypropoxy)propan-1-ol;pentanedioic acid
CID 135332889
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

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(2-hydroxypropoxy)propan-1-ol;methyl acetate?
The IUPAC name of acetic acid;2-(2-hydroxypropoxy)propan-1-ol;methyl acetate (CID 160726973) is acetic acid;2-(2-hydroxypropoxy)propan-1-ol;methyl acetate.
What is the SMILES notation for acetic acid;2-(2-hydroxypropoxy)propan-1-ol;methyl acetate?
The canonical SMILES for acetic acid;2-(2-hydroxypropoxy)propan-1-ol;methyl acetate is CC(=O)O.CC(O)COC(C)CO.COC(C)=O.
What is the InChIKey of acetic acid;2-(2-hydroxypropoxy)propan-1-ol;methyl acetate?
The InChIKey is RTVKWAOWJMVQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.C3H6O2.C2H4O2/c1-5(8)4-9-6(2)3-7;1-3(4)5-2;1-2(3)4/h5-8H,3-4H2,1-2H3;1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-(2-hydroxypropoxy)propan-1-ol;methyl acetate?
acetic acid;2-(2-hydroxypropoxy)propan-1-ol;methyl acetate has a molecular weight of 268.31 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(2-hydroxypropoxy)propan-1-ol;methyl acetate is sourced from PubChem (CID 160726973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).