ethyl 2-hydroxypropanoate;propan-2-one

C8H16O4 — CID 87551470

IUPACethyl 2-hydroxypropanoate;propan-2-one
SMILESCC(C)=O.CCOC(=O)C(C)O
InChIInChI=1S/C5H10O3.C3H6O/c1-3-8-5(7)4(2)6;1-3(2)4/h4,6H,3H2,1-2H3;1-2H3
InChIKeyRKXKBPTWFPNOBJ-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.53
Rot. Bonds2

About ethyl 2-hydroxypropanoate;propan-2-one

ethyl 2-hydroxypropanoate;propan-2-one (PubChem CID 87551470) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is ethyl 2-hydroxypropanoate;propan-2-one.

Molecular Properties

Compound Nameethyl 2-hydroxypropanoate;propan-2-one
PubChem CID87551470
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Nameethyl 2-hydroxypropanoate;propan-2-one
SMILESCC(C)=O.CCOC(=O)C(C)O
InChIInChI=1S/C5H10O3.C3H6O/c1-3-8-5(7)4(2)6;1-3(2)4/h4,6H,3H2,1-2H3;1-2H3
InChIKeyRKXKBPTWFPNOBJ-UHFFFAOYSA-N
XLogP0.53
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxypropanoate;propan-2-one?
The IUPAC name of ethyl 2-hydroxypropanoate;propan-2-one (CID 87551470) is ethyl 2-hydroxypropanoate;propan-2-one.
What is the SMILES notation for ethyl 2-hydroxypropanoate;propan-2-one?
The canonical SMILES for ethyl 2-hydroxypropanoate;propan-2-one is CC(C)=O.CCOC(=O)C(C)O.
What is the InChIKey of ethyl 2-hydroxypropanoate;propan-2-one?
The InChIKey is RKXKBPTWFPNOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C3H6O/c1-3-8-5(7)4(2)6;1-3(2)4/h4,6H,3H2,1-2H3;1-2H3.
What are the key properties of ethyl 2-hydroxypropanoate;propan-2-one?
ethyl 2-hydroxypropanoate;propan-2-one has a molecular weight of 176.21 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxypropanoate;propan-2-one is sourced from PubChem (CID 87551470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).