ethyl 2-hydroxypropanoate;bis(propan-2-one)

C11H22O5 — CID 19429913

IUPACethyl 2-hydroxypropanoate;bis(propan-2-one)
SMILESCC(C)=O.CC(C)=O.CCOC(=O)C(C)O
InChIInChI=1S/C5H10O3.2C3H6O/c1-3-8-5(7)4(2)6;2*1-3(2)4/h4,6H,3H2,1-2H3;2*1-2H3
InChIKeyBHXBEBXQFPWQJM-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.12
Rot. Bonds2

About ethyl 2-hydroxypropanoate;bis(propan-2-one)

ethyl 2-hydroxypropanoate;bis(propan-2-one) (PubChem CID 19429913) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is ethyl 2-hydroxypropanoate;bis(propan-2-one).

Molecular Properties

Compound Nameethyl 2-hydroxypropanoate;bis(propan-2-one)
PubChem CID19429913
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Nameethyl 2-hydroxypropanoate;bis(propan-2-one)
SMILESCC(C)=O.CC(C)=O.CCOC(=O)C(C)O
InChIInChI=1S/C5H10O3.2C3H6O/c1-3-8-5(7)4(2)6;2*1-3(2)4/h4,6H,3H2,1-2H3;2*1-2H3
InChIKeyBHXBEBXQFPWQJM-UHFFFAOYSA-N
XLogP1.12
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl Lactate
CID 7344
Butyl Lactate
CID 8738
Methyl Lactate
CID 11040
(L)-ethyl lactate
CID 92831
Propyl lactate, (+-)-
CID 92821
Butyl lactate, (S)-
CID 6999977
Isoamyl lactate
CID 86851
methyl (S)-lactate
CID 94386
Amyl lactate
CID 101145
Propanoic acid, 2-hydroxy-, 1-methylpropyl ester
CID 86741
Isopropyl Lactate
CID 61160
ethyl (2R)-2-hydroxypropanoate
CID 637513

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxypropanoate;bis(propan-2-one)?
The IUPAC name of ethyl 2-hydroxypropanoate;bis(propan-2-one) (CID 19429913) is ethyl 2-hydroxypropanoate;bis(propan-2-one).
What is the SMILES notation for ethyl 2-hydroxypropanoate;bis(propan-2-one)?
The canonical SMILES for ethyl 2-hydroxypropanoate;bis(propan-2-one) is CC(C)=O.CC(C)=O.CCOC(=O)C(C)O.
What is the InChIKey of ethyl 2-hydroxypropanoate;bis(propan-2-one)?
The InChIKey is BHXBEBXQFPWQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.2C3H6O/c1-3-8-5(7)4(2)6;2*1-3(2)4/h4,6H,3H2,1-2H3;2*1-2H3.
What are the key properties of ethyl 2-hydroxypropanoate;bis(propan-2-one)?
ethyl 2-hydroxypropanoate;bis(propan-2-one) has a molecular weight of 234.29 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxypropanoate;bis(propan-2-one) is sourced from PubChem (CID 19429913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).