diethyl 2-(4-methoxycyclohexyl)propanedioate

C14H24O5 — CID 166470124

IUPACdiethyl 2-(4-methoxycyclohexyl)propanedioate
SMILESCCOC(=O)C(C(=O)OCC)C1CCC(OC)CC1
InChIInChI=1S/C14H24O5/c1-4-18-13(15)12(14(16)19-5-2)10-6-8-11(17-3)9-7-10/h10-12H,4-9H2,1-3H3
InChIKeyOYMLSRGPNVBROY-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.93
Rot. Bonds6

About diethyl 2-(4-methoxycyclohexyl)propanedioate

diethyl 2-(4-methoxycyclohexyl)propanedioate (PubChem CID 166470124) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is diethyl 2-(4-methoxycyclohexyl)propanedioate.

Molecular Properties

Compound Namediethyl 2-(4-methoxycyclohexyl)propanedioate
PubChem CID166470124
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Namediethyl 2-(4-methoxycyclohexyl)propanedioate
SMILESCCOC(=O)C(C(=O)OCC)C1CCC(OC)CC1
InChIInChI=1S/C14H24O5/c1-4-18-13(15)12(14(16)19-5-2)10-6-8-11(17-3)9-7-10/h10-12H,4-9H2,1-3H3
InChIKeyOYMLSRGPNVBROY-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
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 1-[hydroxy-(4-methoxycyclohexyl)methyl]-4-methoxycyclohexane-1-carboxylate
CID 68626423
diethyl 2-(1,1-dimethylsiletan-3-yl)propanedioate
CID 139777855
1-O-ethyl 3-O-(6-methylheptyl) 2-cyclopentylpropanedioate
CID 174749012
dimethyl 2-(4-methylcyclohexyl)propanedioate
CID 103972492
ethyl 2-cyclopropyl-2-fluoroacetate
CID 171409758
3-ethoxy-2-(oxan-4-yl)-3-oxopropanoic acid
CID 103973485
diethyl 2-[(1S,4S)-3-oxo-4-propylcyclohexyl]propanedioate
CID 129387947
ethyl (2S)-2-amino-3,3-dicyclopropylpropanoate
CID 166888475
ethyl 2-cyclopropyl-3-sulfanylpropanoate
CID 19767893
ethyl 2,3-dibromo-3-cyclopropylpropanoate
CID 171562539
2-aminoacetic acid;1-methoxy-4-methylcyclohexane
CID 170636646
ethyl 3-cyclopropyl-2-fluoro-3-hydroxypropanoate
CID 79367296

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(4-methoxycyclohexyl)propanedioate?
The IUPAC name of diethyl 2-(4-methoxycyclohexyl)propanedioate (CID 166470124) is diethyl 2-(4-methoxycyclohexyl)propanedioate.
What is the SMILES notation for diethyl 2-(4-methoxycyclohexyl)propanedioate?
The canonical SMILES for diethyl 2-(4-methoxycyclohexyl)propanedioate is CCOC(=O)C(C(=O)OCC)C1CCC(OC)CC1.
What is the InChIKey of diethyl 2-(4-methoxycyclohexyl)propanedioate?
The InChIKey is OYMLSRGPNVBROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5/c1-4-18-13(15)12(14(16)19-5-2)10-6-8-11(17-3)9-7-10/h10-12H,4-9H2,1-3H3.
What are the key properties of diethyl 2-(4-methoxycyclohexyl)propanedioate?
diethyl 2-(4-methoxycyclohexyl)propanedioate has a molecular weight of 272.34 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(4-methoxycyclohexyl)propanedioate is sourced from PubChem (CID 166470124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).