methyl 3-cyclohexyl-3-hydroxy-2-methoxypropanoate

C11H20O4 — CID 122389974

IUPACmethyl 3-cyclohexyl-3-hydroxy-2-methoxypropanoate
SMILESCOC(=O)C(OC)C(O)C1CCCCC1
InChIInChI=1S/C11H20O4/c1-14-10(11(13)15-2)9(12)8-6-4-3-5-7-8/h8-10,12H,3-7H2,1-2H3
InChIKeyWVLXLHPVFYLSMT-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.12
Rot. Bonds4

About methyl 3-cyclohexyl-3-hydroxy-2-methoxypropanoate

methyl 3-cyclohexyl-3-hydroxy-2-methoxypropanoate (PubChem CID 122389974) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 3-cyclohexyl-3-hydroxy-2-methoxypropanoate.

Molecular Properties

Compound Namemethyl 3-cyclohexyl-3-hydroxy-2-methoxypropanoate
PubChem CID122389974
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Namemethyl 3-cyclohexyl-3-hydroxy-2-methoxypropanoate
SMILESCOC(=O)C(OC)C(O)C1CCCCC1
InChIInChI=1S/C11H20O4/c1-14-10(11(13)15-2)9(12)8-6-4-3-5-7-8/h8-10,12H,3-7H2,1-2H3
InChIKeyWVLXLHPVFYLSMT-UHFFFAOYSA-N
XLogP1.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,3R)-3-cyclohexyl-3-hydroxy-2-methoxypropanoate
CID 134952784
methyl 2-cyclododecyl-2-hydroxyacetate
CID 66287971
dimethyl 2-cyclohexylpropanedioate
CID 2793740
methyl (2R)-3-amino-3-cyclohexyl-2-hydroxypropanoate
CID 143700706
methyl 2-bromo-2-cyclodecylacetate
CID 89276662
(1S)-1-cyclohexyl-2,2-dimethoxyethanol
CID 100970044
methyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate
CID 81386105
2-cyclopentyl-3-methoxy-3-oxopropanoic acid
CID 103973424
methyl (2S)-2-acetyloxy-2-cyclohexylacetate
CID 101044598
methyl 2-cyclobutyl-3-methylsulfanylpropanoate
CID 117245749
methyl 2-[[(1S)-1-cycloheptylethyl]amino]butanoate
CID 115353551
tert-butyl 3-cycloheptyl-3-hydroxy-2-methylpropanoate
CID 66338919

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclohexyl-3-hydroxy-2-methoxypropanoate?
The IUPAC name of methyl 3-cyclohexyl-3-hydroxy-2-methoxypropanoate (CID 122389974) is methyl 3-cyclohexyl-3-hydroxy-2-methoxypropanoate.
What is the SMILES notation for methyl 3-cyclohexyl-3-hydroxy-2-methoxypropanoate?
The canonical SMILES for methyl 3-cyclohexyl-3-hydroxy-2-methoxypropanoate is COC(=O)C(OC)C(O)C1CCCCC1.
What is the InChIKey of methyl 3-cyclohexyl-3-hydroxy-2-methoxypropanoate?
The InChIKey is WVLXLHPVFYLSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-14-10(11(13)15-2)9(12)8-6-4-3-5-7-8/h8-10,12H,3-7H2,1-2H3.
What are the key properties of methyl 3-cyclohexyl-3-hydroxy-2-methoxypropanoate?
methyl 3-cyclohexyl-3-hydroxy-2-methoxypropanoate has a molecular weight of 216.28 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclohexyl-3-hydroxy-2-methoxypropanoate is sourced from PubChem (CID 122389974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).