cyclohexylmethoxymethyl 2,2-dimethylbutanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;1-ethoxyethyl 2,2-dimethylbutanoate;1-methoxyethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;propoxymethyl 2,2-dimethylbutanoate

C79H152O21 — CID 159727231

IUPACcyclohexylmethoxymethyl 2,2-dimethylbutanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;1-ethoxyethyl 2,2-dimethylbutanoate;1-methoxyethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;propoxymethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC(C)OC.CCC(C)(C)C(=O)OCOC.CCC(C)(C)C(=O)OCOCC1(C)CCCCC1.CCC(C)(C)C(=O)OCOCC1CCCC1.CCC(C)(C)C(=O)OCOCC1CCCCC1.CCCOCOC(=O)C(C)(C)CC.CCOC(C)OC(=O)C(C)(C)CC
InChIInChI=1S/C15H28O3.C14H26O3.C13H24O3.2C10H20O3.C9H18O3.C8H16O3/c1-5-14(2,3)13(16)18-12-17-11-15(4)9-7-6-8-10-15;1-4-14(2,3)13(15)17-11-16-10-12-8-6-5-7-9-12;1-4-13(2,3)12(14)16-10-15-9-11-7-5-6-8-11;1-6-10(4,5)9(11)13-8(3)12-7-2;1-5-7-12-8-13-9(11)10(3,4)6-2;1-6-9(3,4)8(10)12-7(2)11-5;1-5-8(2,3)7(9)11-6-10-4/h5-12H2,1-4H3;12H,4-11H2,1-3H3;11H,4-10H2,1-3H3;8H,6-7H2,1-5H3;5-8H2,1-4H3;7H,6H2,1-5H3;5-6H2,1-4H3
InChIKeyNAUDCFXIEDPTMH-UHFFFAOYSA-N
MW1438.06 g/mol
LogP18.79
Rot. Bonds37

About cyclohexylmethoxymethyl 2,2-dimethylbutanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;1-ethoxyethyl 2,2-dimethylbutanoate;1-methoxyethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;propoxymethyl 2,2-dimethylbutanoate

cyclohexylmethoxymethyl 2,2-dimethylbutanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;1-ethoxyethyl 2,2-dimethylbutanoate;1-methoxyethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;propoxymethyl 2,2-dimethylbutanoate (PubChem CID 159727231) has the molecular formula C79H152O21 and a molecular weight of 1438.06 g/mol. Its IUPAC name is cyclohexylmethoxymethyl 2,2-dimethylbutanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;1-ethoxyethyl 2,2-dimethylbutanoate;1-methoxyethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;propoxymethyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Namecyclohexylmethoxymethyl 2,2-dimethylbutanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;1-ethoxyethyl 2,2-dimethylbutanoate;1-methoxyethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;propoxymethyl 2,2-dimethylbutanoate
PubChem CID159727231
Molecular FormulaC79H152O21
Molecular Weight1438.06 g/mol
Exact Mass1437.08
IUPAC Namecyclohexylmethoxymethyl 2,2-dimethylbutanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;1-ethoxyethyl 2,2-dimethylbutanoate;1-methoxyethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;propoxymethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC(C)OC.CCC(C)(C)C(=O)OCOC.CCC(C)(C)C(=O)OCOCC1(C)CCCCC1.CCC(C)(C)C(=O)OCOCC1CCCC1.CCC(C)(C)C(=O)OCOCC1CCCCC1.CCCOCOC(=O)C(C)(C)CC.CCOC(C)OC(=O)C(C)(C)CC
InChIInChI=1S/C15H28O3.C14H26O3.C13H24O3.2C10H20O3.C9H18O3.C8H16O3/c1-5-14(2,3)13(16)18-12-17-11-15(4)9-7-6-8-10-15;1-4-14(2,3)13(15)17-11-16-10-12-8-6-5-7-9-12;1-4-13(2,3)12(14)16-10-15-9-11-7-5-6-8-11;1-6-10(4,5)9(11)13-8(3)12-7-2;1-5-7-12-8-13-9(11)10(3,4)6-2;1-6-9(3,4)8(10)12-7(2)11-5;1-5-8(2,3)7(9)11-6-10-4/h5-12H2,1-4H3;12H,4-11H2,1-3H3;11H,4-10H2,1-3H3;8H,6-7H2,1-5H3;5-8H2,1-4H3;7H,6H2,1-5H3;5-6H2,1-4H3
InChIKeyNAUDCFXIEDPTMH-UHFFFAOYSA-N
XLogP18.79
TPSA248.71 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds37
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001438.06
LogP ≤ 518.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze cyclohexylmethoxymethyl 2,2-dimethylbutanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;1-ethoxyethyl 2,2-dimethylbutanoate;1-methoxyethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;propoxymethyl 2,2-dimethylbutanoate with MolForge

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Related Compounds

cycloheptyloxymethyl 2,2-dimethylbutanoate;cyclohexylmethoxymethyl 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;cyclopentyloxymethyl 2,2-dimethylbutanoate;1-ethoxyethyl 2,2-dimethylbutanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;1-methoxyethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;propoxymethyl 2,2-dimethylbutanoate
CID 161135668
cycloheptyloxymethyl 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;cyclopentyloxymethyl 2,2-dimethylbutanoate
CID 161114200
1-adamantylmethoxymethyl 2,2-dimethylbutanoate;2-adamantyloxymethyl 2,2-dimethylbutanoate;[cyclohexyl(ethoxy)methyl] 2,2-dimethylbutanoate;[cyclohexyl(methoxy)methyl] 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;ethoxymethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate
CID 161408887
1-(cyclohexylmethoxymethyl)-1-methylcyclohexane
CID 135133605
1-methoxyethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate;bis(1-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl 2,2-dimethylbutanoate);(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl 2,2-dimethylbutanoate
CID 162163579
methoxymethyl 2,2-dimethylbutanoate
CID 18731138
(2-methyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;1-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl 2,2-dimethylbutanoate;1-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl 2,2-dimethylbutanoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl 2,2-dimethylbutanoate
CID 159655555
1-(2-acetyloxyethoxy)ethyl 2,2-dimethylbutanoate;1-chloropropan-2-yl 2,2-dimethylbutanoate;1-ethoxyethyl 2,2-dimethylbutanoate;methane;2-methoxyethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate;1-O-methyl 4-O-(2-methylbut-3-en-2-yl) 2,3-dimethylbutanedioate;1-O-methyl 4-O-(1-methylcyclohexyl) 2,3-dimethylbutanedioate;1-O-methyl 4-O-(oxan-2-yl) 2,3-dimethylbutanedioate
CID 158086623
cycloheptyloxymethyl 2,2-dimethylbutanoate;cycloheptyloxymethyl 2-methylbutanoate;cycloheptyloxymethyl 2-methyl-2-(trifluoromethyl)butanoate;cyclohexylmethoxymethyl 2,2-dimethylbutanoate;cyclohexyloxymethyl 2-methyl-2-(trifluoromethyl)butanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;cyclopentyloxymethyl 2-methyl-2-(trifluoromethyl)butanoate;methane
CID 157260103
ethyl 3-(cyclohexylmethoxy)-2-methyl-2-(propan-2-ylamino)propanoate
CID 62384132
1-[3-[1-(2,2-dimethylbutanoyloxy)ethoxy]propoxy]ethyl 2,2-dimethylbutanoate
CID 59687798
1-(2-chloroethoxy)ethyl 2,2-dimethylbutanoate;1-ethoxyethyl 2,2-dimethylbutanoate;methane;methoxymethyl 2,2-dimethylbutanoate;(6-methoxyoxan-2-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;oxan-2-yl 2,2-dimethylbutanoate;(3-oxocyclohexyl) 2,2-dimethylbutanoate;(3-oxocyclopentyl) 2,2-dimethylbutanoate
CID 158147152

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethoxymethyl 2,2-dimethylbutanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;1-ethoxyethyl 2,2-dimethylbutanoate;1-methoxyethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;propoxymethyl 2,2-dimethylbutanoate?
The IUPAC name of cyclohexylmethoxymethyl 2,2-dimethylbutanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;1-ethoxyethyl 2,2-dimethylbutanoate;1-methoxyethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;propoxymethyl 2,2-dimethylbutanoate (CID 159727231) is cyclohexylmethoxymethyl 2,2-dimethylbutanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;1-ethoxyethyl 2,2-dimethylbutanoate;1-methoxyethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;propoxymethyl 2,2-dimethylbutanoate.
What is the SMILES notation for cyclohexylmethoxymethyl 2,2-dimethylbutanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;1-ethoxyethyl 2,2-dimethylbutanoate;1-methoxyethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;propoxymethyl 2,2-dimethylbutanoate?
The canonical SMILES for cyclohexylmethoxymethyl 2,2-dimethylbutanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;1-ethoxyethyl 2,2-dimethylbutanoate;1-methoxyethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;propoxymethyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC(C)OC.CCC(C)(C)C(=O)OCOC.CCC(C)(C)C(=O)OCOCC1(C)CCCCC1.CCC(C)(C)C(=O)OCOCC1CCCC1.CCC(C)(C)C(=O)OCOCC1CCCCC1.CCCOCOC(=O)C(C)(C)CC.CCOC(C)OC(=O)C(C)(C)CC.
What is the InChIKey of cyclohexylmethoxymethyl 2,2-dimethylbutanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;1-ethoxyethyl 2,2-dimethylbutanoate;1-methoxyethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;propoxymethyl 2,2-dimethylbutanoate?
The InChIKey is NAUDCFXIEDPTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3.C14H26O3.C13H24O3.2C10H20O3.C9H18O3.C8H16O3/c1-5-14(2,3)13(16)18-12-17-11-15(4)9-7-6-8-10-15;1-4-14(2,3)13(15)17-11-16-10-12-8-6-5-7-9-12;1-4-13(2,3)12(14)16-10-15-9-11-7-5-6-8-11;1-6-10(4,5)9(11)13-8(3)12-7-2;1-5-7-12-8-13-9(11)10(3,4)6-2;1-6-9(3,4)8(10)12-7(2)11-5;1-5-8(2,3)7(9)11-6-10-4/h5-12H2,1-4H3;12H,4-11H2,1-3H3;11H,4-10H2,1-3H3;8H,6-7H2,1-5H3;5-8H2,1-4H3;7H,6H2,1-5H3;5-6H2,1-4H3.
What are the key properties of cyclohexylmethoxymethyl 2,2-dimethylbutanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;1-ethoxyethyl 2,2-dimethylbutanoate;1-methoxyethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;propoxymethyl 2,2-dimethylbutanoate?
cyclohexylmethoxymethyl 2,2-dimethylbutanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;1-ethoxyethyl 2,2-dimethylbutanoate;1-methoxyethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;propoxymethyl 2,2-dimethylbutanoate has a molecular weight of 1438.06 g/mol, XLogP of 18.79, 37 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethoxymethyl 2,2-dimethylbutanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;1-ethoxyethyl 2,2-dimethylbutanoate;1-methoxyethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;propoxymethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 159727231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).