cyclohexane;ethyl 3-hydroxypropanoate

C11H22O3 — CID 66723780

IUPACcyclohexane;ethyl 3-hydroxypropanoate
SMILESC1CCCCC1.CCOC(=O)CCO
InChIInChI=1S/C6H12.C5H10O3/c1-2-4-6-5-3-1;1-2-8-5(7)3-4-6/h1-6H2;6H,2-4H2,1H3
InChIKeyWEPASVTXBMMIBX-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.27
Rot. Bonds3

About cyclohexane;ethyl 3-hydroxypropanoate

cyclohexane;ethyl 3-hydroxypropanoate (PubChem CID 66723780) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is cyclohexane;ethyl 3-hydroxypropanoate.

Molecular Properties

Compound Namecyclohexane;ethyl 3-hydroxypropanoate
PubChem CID66723780
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Namecyclohexane;ethyl 3-hydroxypropanoate
SMILESC1CCCCC1.CCOC(=O)CCO
InChIInChI=1S/C6H12.C5H10O3/c1-2-4-6-5-3-1;1-2-8-5(7)3-4-6/h1-6H2;6H,2-4H2,1H3
InChIKeyWEPASVTXBMMIBX-UHFFFAOYSA-N
XLogP2.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-hydroxypropanoate
CID 160663371
cyclohexane;ethyl 4-hydroxybutanoate
CID 67158425
acetic acid;ethyl 3-hydroxypropanoate
CID 18372917
dichloromethane;ethyl 3-hydroxypropanoate
CID 22030839
(ethyl 3-hydroxypropanoate);hexane
CID 173284299
ethyl 3-hydroxypropanoate;heptane
CID 18415145
acetonitrile;ethyl 3-hydroxypropanoate
CID 22990060
ethyl 3-hydroxypropanoate;propyl 3-hydroxypropanoate
CID 161440324
ethyl 3-hydroxypropanoate;propane-1,2,3-triol
CID 161267681
dichloromethane;ethyl acetate;ethyl 3-hydroxypropanoate
CID 87397368
ethyl acetate;ethyl 3-hydroxypropanoate;hexane
CID 173066661
CID 136749907
CID 136749907

Frequently Asked Questions

What is the IUPAC name of cyclohexane;ethyl 3-hydroxypropanoate?
The IUPAC name of cyclohexane;ethyl 3-hydroxypropanoate (CID 66723780) is cyclohexane;ethyl 3-hydroxypropanoate.
What is the SMILES notation for cyclohexane;ethyl 3-hydroxypropanoate?
The canonical SMILES for cyclohexane;ethyl 3-hydroxypropanoate is C1CCCCC1.CCOC(=O)CCO.
What is the InChIKey of cyclohexane;ethyl 3-hydroxypropanoate?
The InChIKey is WEPASVTXBMMIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C5H10O3/c1-2-4-6-5-3-1;1-2-8-5(7)3-4-6/h1-6H2;6H,2-4H2,1H3.
What are the key properties of cyclohexane;ethyl 3-hydroxypropanoate?
cyclohexane;ethyl 3-hydroxypropanoate has a molecular weight of 202.29 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;ethyl 3-hydroxypropanoate is sourced from PubChem (CID 66723780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).