ethanol;2-hydroxypropyl acetate

C7H16O4 — CID 88717262

IUPACethanol;2-hydroxypropyl acetate
SMILESCC(=O)OCC(C)O.CCO
InChIInChI=1S/C5H10O3.C2H6O/c1-4(6)3-8-5(2)7;1-2-3/h4,6H,3H2,1-2H3;3H,2H2,1H3
InChIKeyMOYGUUMUZMXHAP-UHFFFAOYSA-N
MW164.20 g/mol
LogP-0.07
Rot. Bonds2

About ethanol;2-hydroxypropyl acetate

ethanol;2-hydroxypropyl acetate (PubChem CID 88717262) has the molecular formula C7H16O4 and a molecular weight of 164.20 g/mol. Its IUPAC name is ethanol;2-hydroxypropyl acetate.

Molecular Properties

Compound Nameethanol;2-hydroxypropyl acetate
PubChem CID88717262
Molecular FormulaC7H16O4
Molecular Weight164.20 g/mol
Exact Mass164.10
IUPAC Nameethanol;2-hydroxypropyl acetate
SMILESCC(=O)OCC(C)O.CCO
InChIInChI=1S/C5H10O3.C2H6O/c1-4(6)3-8-5(2)7;1-2-3/h4,6H,3H2,1-2H3;3H,2H2,1H3
InChIKeyMOYGUUMUZMXHAP-UHFFFAOYSA-N
XLogP-0.07
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxypropyl acetate;mercury
CID 174858394
N,N-dimethylmethanamine;2-hydroxypropyl acetate;hydrochloride
CID 173444949
2-hydroxypropyl acetate;methoxyperoxymethane
CID 87580480
ethanol;ethyl acetate
CID 173022006
2-[2-(2-hydroxypropoxy)propoxy]propyl acetate
CID 87518170
bis(butan-2-ol);ethyl acetate
CID 139558654
ethyl acetate;methoxymethane;propane-1,2-diol
CID 175107858
ethyl acetate;bis(propan-2-ol)
CID 87186921
ethanol;ethyl acetate;hydrate
CID 86601158
2-(2-ethoxypropoxy)propyl acetate;2-(2-hydroxypropoxy)propan-1-ol
CID 158412024
ethanol;methanol;propan-2-ol;propan-2-one
CID 159107328
ethyl acetate;methanol
CID 173029748

Frequently Asked Questions

What is the IUPAC name of ethanol;2-hydroxypropyl acetate?
The IUPAC name of ethanol;2-hydroxypropyl acetate (CID 88717262) is ethanol;2-hydroxypropyl acetate.
What is the SMILES notation for ethanol;2-hydroxypropyl acetate?
The canonical SMILES for ethanol;2-hydroxypropyl acetate is CC(=O)OCC(C)O.CCO.
What is the InChIKey of ethanol;2-hydroxypropyl acetate?
The InChIKey is MOYGUUMUZMXHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C2H6O/c1-4(6)3-8-5(2)7;1-2-3/h4,6H,3H2,1-2H3;3H,2H2,1H3.
What are the key properties of ethanol;2-hydroxypropyl acetate?
ethanol;2-hydroxypropyl acetate has a molecular weight of 164.20 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;2-hydroxypropyl acetate is sourced from PubChem (CID 88717262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).