methyl 2-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyacetate

C14H24O3 — CID 114340336

IUPACmethyl 2-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyacetate
SMILESCOC(=O)C(OC1CCC(C)(C)CC1)C1CC1
InChIInChI=1S/C14H24O3/c1-14(2)8-6-11(7-9-14)17-12(10-4-5-10)13(15)16-3/h10-12H,4-9H2,1-3H3
InChIKeyUUGLJEDBUMGEAH-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.92
Rot. Bonds4

About methyl 2-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyacetate

methyl 2-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyacetate (PubChem CID 114340336) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyacetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyacetate
PubChem CID114340336
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Namemethyl 2-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyacetate
SMILESCOC(=O)C(OC1CCC(C)(C)CC1)C1CC1
InChIInChI=1S/C14H24O3/c1-14(2)8-6-11(7-9-14)17-12(10-4-5-10)13(15)16-3/h10-12H,4-9H2,1-3H3
InChIKeyUUGLJEDBUMGEAH-UHFFFAOYSA-N
XLogP2.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-(4,4-dimethylcyclohexyl)oxy-2-fluoroacetate
CID 114340350
2,2,3,3-Tetramethylcyclopropanecarboxylic acid, 4-methylcyclohexyl ester
CID 566196
[2-[1-(3,3-Dimethylcyclohexyl)ethoxy]-2-oxoethyl] cyclopropanecarboxylate
CID 12022019
(1-Ethoxy-3-methyl-1-oxobutan-2-yl) 1-methylcyclohexane-1-carboxylate
CID 58097045
[2-(1-Cyclopropylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate
CID 58887203
Ethyl 2-(cyclohexylmethoxy)butanoate
CID 64662661
(1-Ethoxy-1-oxopropan-2-yl) 1-methylcyclohexane-1-carboxylate
CID 68300203
[(2S)-1-ethoxy-1-oxopropan-2-yl] 1-methylcyclohexane-1-carboxylate
CID 69930984
(1-Ethoxy-3-methyl-1-oxopentan-2-yl) 1-methylcyclohexane-1-carboxylate
CID 70668582
[2-(1-Methylcyclohexyl)oxy-2-oxoethyl] 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 70988038
4,4-Dimethyl-2-oxocyclohexyl acetate
CID 71394311
[2-(2-Methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate
CID 90128281

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyacetate?
The IUPAC name of methyl 2-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyacetate (CID 114340336) is methyl 2-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyacetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyacetate?
The canonical SMILES for methyl 2-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyacetate is COC(=O)C(OC1CCC(C)(C)CC1)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyacetate?
The InChIKey is UUGLJEDBUMGEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-14(2)8-6-11(7-9-14)17-12(10-4-5-10)13(15)16-3/h10-12H,4-9H2,1-3H3.
What are the key properties of methyl 2-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyacetate?
methyl 2-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyacetate has a molecular weight of 240.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyacetate is sourced from PubChem (CID 114340336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).