ethyl 3-cyclohexyl-3-hydroxybutanoate

C12H22O3 — CID 11195250

IUPACethyl 3-cyclohexyl-3-hydroxybutanoate
SMILESCCOC(=O)CC(C)(O)C1CCCCC1
InChIInChI=1S/C12H22O3/c1-3-15-11(13)9-12(2,14)10-7-5-4-6-8-10/h10,14H,3-9H2,1-2H3
InChIKeyLGSDNBULYPOOTJ-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.27
Rot. Bonds4

About ethyl 3-cyclohexyl-3-hydroxybutanoate

ethyl 3-cyclohexyl-3-hydroxybutanoate (PubChem CID 11195250) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is ethyl 3-cyclohexyl-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 3-cyclohexyl-3-hydroxybutanoate
PubChem CID11195250
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Nameethyl 3-cyclohexyl-3-hydroxybutanoate
SMILESCCOC(=O)CC(C)(O)C1CCCCC1
InChIInChI=1S/C12H22O3/c1-3-15-11(13)9-12(2,14)10-7-5-4-6-8-10/h10,14H,3-9H2,1-2H3
InChIKeyLGSDNBULYPOOTJ-UHFFFAOYSA-N
XLogP2.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclohexyl-3-hydroxybutanoate?
The IUPAC name of ethyl 3-cyclohexyl-3-hydroxybutanoate (CID 11195250) is ethyl 3-cyclohexyl-3-hydroxybutanoate.
What is the SMILES notation for ethyl 3-cyclohexyl-3-hydroxybutanoate?
The canonical SMILES for ethyl 3-cyclohexyl-3-hydroxybutanoate is CCOC(=O)CC(C)(O)C1CCCCC1.
What is the InChIKey of ethyl 3-cyclohexyl-3-hydroxybutanoate?
The InChIKey is LGSDNBULYPOOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-3-15-11(13)9-12(2,14)10-7-5-4-6-8-10/h10,14H,3-9H2,1-2H3.
What are the key properties of ethyl 3-cyclohexyl-3-hydroxybutanoate?
ethyl 3-cyclohexyl-3-hydroxybutanoate has a molecular weight of 214.30 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclohexyl-3-hydroxybutanoate is sourced from PubChem (CID 11195250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).