ethyl 3-cyclohexyl-2,3-dihydroxypropanoate

C11H20O4 — CID 14264412

IUPACethyl 3-cyclohexyl-2,3-dihydroxypropanoate
SMILESCCOC(=O)C(O)C(O)C1CCCCC1
InChIInChI=1S/C11H20O4/c1-2-15-11(14)10(13)9(12)8-6-4-3-5-7-8/h8-10,12-13H,2-7H2,1H3
InChIKeyLSJLXINTZONUKQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.85
Rot. Bonds4

About ethyl 3-cyclohexyl-2,3-dihydroxypropanoate

ethyl 3-cyclohexyl-2,3-dihydroxypropanoate (PubChem CID 14264412) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl 3-cyclohexyl-2,3-dihydroxypropanoate.

Molecular Properties

Compound Nameethyl 3-cyclohexyl-2,3-dihydroxypropanoate
PubChem CID14264412
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Nameethyl 3-cyclohexyl-2,3-dihydroxypropanoate
SMILESCCOC(=O)C(O)C(O)C1CCCCC1
InChIInChI=1S/C11H20O4/c1-2-15-11(14)10(13)9(12)8-6-4-3-5-7-8/h8-10,12-13H,2-7H2,1H3
InChIKeyLSJLXINTZONUKQ-UHFFFAOYSA-N
XLogP0.85
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclohexyl-2,3-dihydroxypropanoate?
The IUPAC name of ethyl 3-cyclohexyl-2,3-dihydroxypropanoate (CID 14264412) is ethyl 3-cyclohexyl-2,3-dihydroxypropanoate.
What is the SMILES notation for ethyl 3-cyclohexyl-2,3-dihydroxypropanoate?
The canonical SMILES for ethyl 3-cyclohexyl-2,3-dihydroxypropanoate is CCOC(=O)C(O)C(O)C1CCCCC1.
What is the InChIKey of ethyl 3-cyclohexyl-2,3-dihydroxypropanoate?
The InChIKey is LSJLXINTZONUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-2-15-11(14)10(13)9(12)8-6-4-3-5-7-8/h8-10,12-13H,2-7H2,1H3.
What are the key properties of ethyl 3-cyclohexyl-2,3-dihydroxypropanoate?
ethyl 3-cyclohexyl-2,3-dihydroxypropanoate has a molecular weight of 216.28 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclohexyl-2,3-dihydroxypropanoate is sourced from PubChem (CID 14264412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).