diethyl 2-cyclohexyl-2-methoxypropanedioate

C14H24O5 — CID 67553135

IUPACdiethyl 2-cyclohexyl-2-methoxypropanedioate
SMILESCCOC(=O)C(OC)(C(=O)OCC)C1CCCCC1
InChIInChI=1S/C14H24O5/c1-4-18-12(15)14(17-3,13(16)19-5-2)11-9-7-6-8-10-11/h11H,4-10H2,1-3H3
InChIKeyDIQXGUULIZBGAI-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.08
Rot. Bonds6

About diethyl 2-cyclohexyl-2-methoxypropanedioate

diethyl 2-cyclohexyl-2-methoxypropanedioate (PubChem CID 67553135) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is diethyl 2-cyclohexyl-2-methoxypropanedioate.

Molecular Properties

Compound Namediethyl 2-cyclohexyl-2-methoxypropanedioate
PubChem CID67553135
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Namediethyl 2-cyclohexyl-2-methoxypropanedioate
SMILESCCOC(=O)C(OC)(C(=O)OCC)C1CCCCC1
InChIInChI=1S/C14H24O5/c1-4-18-12(15)14(17-3,13(16)19-5-2)11-9-7-6-8-10-11/h11H,4-10H2,1-3H3
InChIKeyDIQXGUULIZBGAI-UHFFFAOYSA-N
XLogP2.08
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate
CID 97047914
ethyl 2-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanoate
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2-cycloheptyl-3-ethoxy-2-methyl-3-oxopropanoic acid
CID 103973885
ethyl 2-cyclohexyl-2-ethoxypropanoate
CID 141274224
ethyl 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate
CID 68952925
2-cyclopentyl-3-ethoxy-2-methyl-3-oxopropanoic acid
CID 103973903
2-cyclohexyl-2,2-difluoroacetamide;ethyl 2-cyclohexyl-2,2-difluoroacetate
CID 158104512
ethyl 2-cyclohexyl-2-(ethoxymethyl)butanoate
CID 139783133
diethyl 2-cyclopentyl-2-(2-methylpropyl)propanedioate
CID 70189214
diethyl 2-cyclohexyl-3-methyl-2-(2-methylpropyl)butanedioate
CID 174616353
ethyl 2-cyano-2-cyclohexylpent-4-ynoate
CID 11673095
ethyl 2-cyclohexyl-2-(prop-2-ynylamino)propanoate
CID 63323924

Frequently Asked Questions

What is the IUPAC name of diethyl 2-cyclohexyl-2-methoxypropanedioate?
The IUPAC name of diethyl 2-cyclohexyl-2-methoxypropanedioate (CID 67553135) is diethyl 2-cyclohexyl-2-methoxypropanedioate.
What is the SMILES notation for diethyl 2-cyclohexyl-2-methoxypropanedioate?
The canonical SMILES for diethyl 2-cyclohexyl-2-methoxypropanedioate is CCOC(=O)C(OC)(C(=O)OCC)C1CCCCC1.
What is the InChIKey of diethyl 2-cyclohexyl-2-methoxypropanedioate?
The InChIKey is DIQXGUULIZBGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5/c1-4-18-12(15)14(17-3,13(16)19-5-2)11-9-7-6-8-10-11/h11H,4-10H2,1-3H3.
What are the key properties of diethyl 2-cyclohexyl-2-methoxypropanedioate?
diethyl 2-cyclohexyl-2-methoxypropanedioate has a molecular weight of 272.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-cyclohexyl-2-methoxypropanedioate is sourced from PubChem (CID 67553135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).