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

C107H219F9O21 — CID 157260103

IUPACcycloheptyloxymethyl 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
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C(=O)OCOC1CCCC1)C(F)(F)F.CCC(C)(C(=O)OCOC1CCCCC1)C(F)(F)F.CCC(C)(C(=O)OCOC1CCCCCC1)C(F)(F)F.CCC(C)(C)C(=O)OCOC1CCCCCC1.CCC(C)(C)C(=O)OCOCC1CCCC1.CCC(C)(C)C(=O)OCOCC1CCCCC1.CCC(C)C(=O)OCOC1CCCCCC1
InChIInChI=1S/C14H23F3O3.2C14H26O3.C13H21F3O3.2C13H24O3.C12H19F3O3.14CH4/c1-3-13(2,14(15,16)17)12(18)20-10-19-11-8-6-4-5-7-9-11;1-4-14(2,3)13(15)17-11-16-10-12-8-6-5-7-9-12;1-4-14(2,3)13(15)17-11-16-12-9-7-5-6-8-10-12;1-3-12(2,13(14,15)16)11(17)19-9-18-10-7-5-4-6-8-10;1-4-13(2,3)12(14)16-10-15-9-11-7-5-6-8-11;1-3-11(2)13(14)16-10-15-12-8-6-4-5-7-9-12;1-3-11(2,12(13,14)15)10(16)18-8-17-9-6-4-5-7-9;;;;;;;;;;;;;;/h11H,3-10H2,1-2H3;2*12H,4-11H2,1-3H3;10H,3-9H2,1-2H3;11H,4-10H2,1-3H3;11-12H,3-10H2,1-2H3;9H,3-8H2,1-2H3;14*1H4
InChIKeyAXIUTGBSLXULNS-UHFFFAOYSA-N
MW2012.89 g/mol
LogP33.94
Rot. Bonds37

About 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

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 (PubChem CID 157260103) has the molecular formula C107H219F9O21 and a molecular weight of 2012.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namecycloheptyloxymethyl 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
PubChem CID157260103
Molecular FormulaC107H219F9O21
Molecular Weight2012.89 g/mol
Exact Mass2011.59
IUPAC Namecycloheptyloxymethyl 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
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C(=O)OCOC1CCCC1)C(F)(F)F.CCC(C)(C(=O)OCOC1CCCCC1)C(F)(F)F.CCC(C)(C(=O)OCOC1CCCCCC1)C(F)(F)F.CCC(C)(C)C(=O)OCOC1CCCCCC1.CCC(C)(C)C(=O)OCOCC1CCCC1.CCC(C)(C)C(=O)OCOCC1CCCCC1.CCC(C)C(=O)OCOC1CCCCCC1
InChIInChI=1S/C14H23F3O3.2C14H26O3.C13H21F3O3.2C13H24O3.C12H19F3O3.14CH4/c1-3-13(2,14(15,16)17)12(18)20-10-19-11-8-6-4-5-7-9-11;1-4-14(2,3)13(15)17-11-16-10-12-8-6-5-7-9-12;1-4-14(2,3)13(15)17-11-16-12-9-7-5-6-8-10-12;1-3-12(2,13(14,15)16)11(17)19-9-18-10-7-5-4-6-8-10;1-4-13(2,3)12(14)16-10-15-9-11-7-5-6-8-11;1-3-11(2)13(14)16-10-15-12-8-6-4-5-7-9-12;1-3-11(2,12(13,14)15)10(16)18-8-17-9-6-4-5-7-9;;;;;;;;;;;;;;/h11H,3-10H2,1-2H3;2*12H,4-11H2,1-3H3;10H,3-9H2,1-2H3;11H,4-10H2,1-3H3;11-12H,3-10H2,1-2H3;9H,3-8H2,1-2H3;14*1H4
InChIKeyAXIUTGBSLXULNS-UHFFFAOYSA-N
XLogP33.94
TPSA248.71 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds37
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002012.89
LogP ≤ 533.94
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 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cycloheptyloxymethyl 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;cyclopentyloxymethyl 2,2-dimethylbutanoate
CID 161114200
cyclopentylmethoxymethyl 2-methylbutanoate
CID 59189145
1-adamantylmethoxymethyl 2,2-dimethylbutanoate;1-adamantylmethoxymethyl 2-methylbutanoate;2-adamantyloxymethyl 2-methyl-2-(trifluoromethyl)butanoate;methane;(4-oxo-2-adamantyl)oxymethyl 2,2-dimethylbutanoate;(4-oxo-2-adamantyl)oxymethyl 2-methylbutanoate
CID 159074973
cycloheptyl 2-methyl-2-(trifluoromethyl)butanoate
CID 59422991
cyclohexyloxymethyl 2-ethyl-2,4-dimethylpentanoate
CID 134286062
butan-2-yloxycyclohexane;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate
CID 169429935
bis(1-adamantylmethoxymethyl 6-(2-methylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate);cyclohexyloxymethyl 6-(2,2-dimethylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate
CID 160929816
cyclohexylmethoxymethyl 6-(2,2-dimethylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;cyclohexylmethoxymethyl 6-(2-methylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;(4-oxo-2-adamantyl)oxymethyl 6-(2,2-dimethylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate
CID 161407391
2-methylpropoxymethyl 2,2-dimethylbutanoate
CID 59445769
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
cyclohexylmethyl 2-amino-2-methylbutanoate
CID 79799242
cyclohexyloxymethyl 2-iodo-2-methyl-3-(methyliodanuidylamino)butanoate
CID 147043367

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C(=O)OCOC1CCCC1)C(F)(F)F.CCC(C)(C(=O)OCOC1CCCCC1)C(F)(F)F.CCC(C)(C(=O)OCOC1CCCCCC1)C(F)(F)F.CCC(C)(C)C(=O)OCOC1CCCCCC1.CCC(C)(C)C(=O)OCOCC1CCCC1.CCC(C)(C)C(=O)OCOCC1CCCCC1.CCC(C)C(=O)OCOC1CCCCCC1.
What is the InChIKey of 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?
The InChIKey is AXIUTGBSLXULNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3O3.2C14H26O3.C13H21F3O3.2C13H24O3.C12H19F3O3.14CH4/c1-3-13(2,14(15,16)17)12(18)20-10-19-11-8-6-4-5-7-9-11;1-4-14(2,3)13(15)17-11-16-10-12-8-6-5-7-9-12;1-4-14(2,3)13(15)17-11-16-12-9-7-5-6-8-10-12;1-3-12(2,13(14,15)16)11(17)19-9-18-10-7-5-4-6-8-10;1-4-13(2,3)12(14)16-10-15-9-11-7-5-6-8-11;1-3-11(2)13(14)16-10-15-12-8-6-4-5-7-9-12;1-3-11(2,12(13,14)15)10(16)18-8-17-9-6-4-5-7-9;;;;;;;;;;;;;;/h11H,3-10H2,1-2H3;2*12H,4-11H2,1-3H3;10H,3-9H2,1-2H3;11H,4-10H2,1-3H3;11-12H,3-10H2,1-2H3;9H,3-8H2,1-2H3;14*1H4.
What are the key properties of 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?
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 has a molecular weight of 2012.89 g/mol, XLogP of 33.94, 37 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157260103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).