cyclopentanone;methyl 2-hydroxypropanoate

C9H16O4 — CID 159727369

IUPACcyclopentanone;methyl 2-hydroxypropanoate
SMILESCOC(=O)C(C)O.O=C1CCCC1
InChIInChI=1S/C5H8O.C4H8O3/c6-5-3-1-2-4-5;1-3(5)4(6)7-2/h1-4H2;3,5H,1-2H3
InChIKeyNAUOWNJDYSDZAQ-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.67
Rot. Bonds1

About cyclopentanone;methyl 2-hydroxypropanoate

cyclopentanone;methyl 2-hydroxypropanoate (PubChem CID 159727369) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is cyclopentanone;methyl 2-hydroxypropanoate.

Molecular Properties

Compound Namecyclopentanone;methyl 2-hydroxypropanoate
PubChem CID159727369
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Namecyclopentanone;methyl 2-hydroxypropanoate
SMILESCOC(=O)C(C)O.O=C1CCCC1
InChIInChI=1S/C5H8O.C4H8O3/c6-5-3-1-2-4-5;1-3(5)4(6)7-2/h1-4H2;3,5H,1-2H3
InChIKeyNAUOWNJDYSDZAQ-UHFFFAOYSA-N
XLogP0.67
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-hydroxypropanoate;heptan-2-one
CID 18183690
Ethyl 2-hydroxypropanoate;bis(propan-2-one)
CID 19429913
Butan-2-one;ethyl 2-hydroxypropanoate
CID 19875658
Butan-2-one;methyl 2-hydroxypropanoate
CID 21217288
Cyclohexanone;methyl 2-hydroxypropanoate
CID 69101230
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
Ethyl 2-hydroxypropanoate;propan-2-one
CID 87551470
Ethanol;ethyl 2-hydroxypropanoate;propan-2-one
CID 88815553
CID 89999224
CID 89999224
Cyclopentanone;1-methoxypropan-2-ol
CID 141468485
Ethyl 2-hydroxypropanoate;propan-2-ol;propan-2-one
CID 157235933
Methyl 2-hydroxypropanoate;methyl propanoate
CID 157660658

Frequently Asked Questions

What is the IUPAC name of cyclopentanone;methyl 2-hydroxypropanoate?
The IUPAC name of cyclopentanone;methyl 2-hydroxypropanoate (CID 159727369) is cyclopentanone;methyl 2-hydroxypropanoate.
What is the SMILES notation for cyclopentanone;methyl 2-hydroxypropanoate?
The canonical SMILES for cyclopentanone;methyl 2-hydroxypropanoate is COC(=O)C(C)O.O=C1CCCC1.
What is the InChIKey of cyclopentanone;methyl 2-hydroxypropanoate?
The InChIKey is NAUOWNJDYSDZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O.C4H8O3/c6-5-3-1-2-4-5;1-3(5)4(6)7-2/h1-4H2;3,5H,1-2H3.
What are the key properties of cyclopentanone;methyl 2-hydroxypropanoate?
cyclopentanone;methyl 2-hydroxypropanoate has a molecular weight of 188.22 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanone;methyl 2-hydroxypropanoate is sourced from PubChem (CID 159727369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).