cyclohexanone;methyl 2-hydroxypropanoate

C10H18O4 — CID 69101230

IUPACcyclohexanone;methyl 2-hydroxypropanoate
SMILESCOC(=O)C(C)O.O=C1CCCCC1
InChIInChI=1S/C6H10O.C4H8O3/c7-6-4-2-1-3-5-6;1-3(5)4(6)7-2/h1-5H2;3,5H,1-2H3
InChIKeyIYSYCMKAZWQFCB-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.06
Rot. Bonds1

About cyclohexanone;methyl 2-hydroxypropanoate

cyclohexanone;methyl 2-hydroxypropanoate (PubChem CID 69101230) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is cyclohexanone;methyl 2-hydroxypropanoate.

Molecular Properties

Compound Namecyclohexanone;methyl 2-hydroxypropanoate
PubChem CID69101230
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namecyclohexanone;methyl 2-hydroxypropanoate
SMILESCOC(=O)C(C)O.O=C1CCCCC1
InChIInChI=1S/C6H10O.C4H8O3/c7-6-4-2-1-3-5-6;1-3(5)4(6)7-2/h1-5H2;3,5H,1-2H3
InChIKeyIYSYCMKAZWQFCB-UHFFFAOYSA-N
XLogP1.06
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexanone;methyl 2-hydroxypropanoate?
The IUPAC name of cyclohexanone;methyl 2-hydroxypropanoate (CID 69101230) is cyclohexanone;methyl 2-hydroxypropanoate.
What is the SMILES notation for cyclohexanone;methyl 2-hydroxypropanoate?
The canonical SMILES for cyclohexanone;methyl 2-hydroxypropanoate is COC(=O)C(C)O.O=C1CCCCC1.
What is the InChIKey of cyclohexanone;methyl 2-hydroxypropanoate?
The InChIKey is IYSYCMKAZWQFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C4H8O3/c7-6-4-2-1-3-5-6;1-3(5)4(6)7-2/h1-5H2;3,5H,1-2H3.
What are the key properties of cyclohexanone;methyl 2-hydroxypropanoate?
cyclohexanone;methyl 2-hydroxypropanoate has a molecular weight of 202.25 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanone;methyl 2-hydroxypropanoate is sourced from PubChem (CID 69101230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).