ethyl 2-hydroxy-2-(2-methoxycyclohexyl)butanoate

C13H24O4 — CID 106874759

IUPACethyl 2-hydroxy-2-(2-methoxycyclohexyl)butanoate
SMILESCCOC(=O)C(O)(CC)C1CCCCC1OC
InChIInChI=1S/C13H24O4/c1-4-13(15,12(14)17-5-2)10-8-6-7-9-11(10)16-3/h10-11,15H,4-9H2,1-3H3
InChIKeyRIYFEKBSFHSWCP-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.90
Rot. Bonds5

About ethyl 2-hydroxy-2-(2-methoxycyclohexyl)butanoate

ethyl 2-hydroxy-2-(2-methoxycyclohexyl)butanoate (PubChem CID 106874759) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(2-methoxycyclohexyl)butanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(2-methoxycyclohexyl)butanoate
PubChem CID106874759
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Nameethyl 2-hydroxy-2-(2-methoxycyclohexyl)butanoate
SMILESCCOC(=O)C(O)(CC)C1CCCCC1OC
InChIInChI=1S/C13H24O4/c1-4-13(15,12(14)17-5-2)10-8-6-7-9-11(10)16-3/h10-11,15H,4-9H2,1-3H3
InChIKeyRIYFEKBSFHSWCP-UHFFFAOYSA-N
XLogP1.90
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-hydroxy-2-(2-methylcyclohexyl)butanoate
CID 79298252
trans-(1R,2S)-1-methoxy-2-(2-methylbutan-2-yl)cyclohexane
CID 149361841
cis-ethyl (1R,2S)-2-methoxycyclohexane-1-carboxylate
CID 57224472
ethyl 2-(2-hydroxycyclohexyl)-2-methylpropanoate
CID 165348974
ethyl 2-(2-ethylcyclohexyl)-2-hydroxypropanoate
CID 79298576
ethyl 2-hydroxy-2-(3-methylcyclopentyl)butanoate
CID 79298134
ethyl 2-(1,1-dioxothian-4-yl)-2-hydroxybutanoate
CID 79298584
ethyl 2-(2,3-dimethylcyclohexyl)-2-hydroxypentanoate
CID 83052014
ethyl 2-hydroxy-2-(4-propan-2-ylcycloheptyl)butanoate
CID 79298132
diethyl 2-cyclohexyl-2-methoxypropanedioate
CID 67553135
ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate
CID 97047914
ethyl 2-[(2-methoxycyclohexyl)amino]acetate
CID 60810510

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(2-methoxycyclohexyl)butanoate?
The IUPAC name of ethyl 2-hydroxy-2-(2-methoxycyclohexyl)butanoate (CID 106874759) is ethyl 2-hydroxy-2-(2-methoxycyclohexyl)butanoate.
What is the SMILES notation for ethyl 2-hydroxy-2-(2-methoxycyclohexyl)butanoate?
The canonical SMILES for ethyl 2-hydroxy-2-(2-methoxycyclohexyl)butanoate is CCOC(=O)C(O)(CC)C1CCCCC1OC.
What is the InChIKey of ethyl 2-hydroxy-2-(2-methoxycyclohexyl)butanoate?
The InChIKey is RIYFEKBSFHSWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-4-13(15,12(14)17-5-2)10-8-6-7-9-11(10)16-3/h10-11,15H,4-9H2,1-3H3.
What are the key properties of ethyl 2-hydroxy-2-(2-methoxycyclohexyl)butanoate?
ethyl 2-hydroxy-2-(2-methoxycyclohexyl)butanoate has a molecular weight of 244.33 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(2-methoxycyclohexyl)butanoate is sourced from PubChem (CID 106874759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).