2-cyclohexylpropan-2-yl 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate;(1-ethylcyclohexyl) 3-butan-2-ylbenzoate;methane;(1-methylcyclohexyl) 3-butan-2-ylbenzoate;(1-methylcyclopentyl) 3-butan-2-ylbenzoate;1-(4-methylphenyl)ethyl 2-methylbutanoate;1-(4-methylphenyl)propyl 2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;1-phenylethyl 2-methylbutanoate

C139H220O16 — CID 159899299

IUPAC2-cyclohexylpropan-2-yl 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate;(1-ethylcyclohexyl) 3-butan-2-ylbenzoate;methane;(1-methylcyclohexyl) 3-butan-2-ylbenzoate;(1-methylcyclopentyl) 3-butan-2-ylbenzoate;1-(4-methylphenyl)ethyl 2-methylbutanoate;1-(4-methylphenyl)propyl 2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;1-phenylethyl 2-methylbutanoate
SMILESC.C.C.C.C.C.C.C.CC1Cc2cc(C(=O)OC(C)(C)C3CCCCC3)ccc2C1C.CCC(C)(C)C(=O)OC(C)c1ccccc1.CCC(C)C(=O)OC(C)c1ccc(C)cc1.CCC(C)C(=O)OC(C)c1ccccc1.CCC(C)C(=O)OC(CC)c1ccc(C)cc1.CCC(C)c1cccc(C(=O)OC2(C)CCCC2)c1.CCC(C)c1cccc(C(=O)OC2(C)CCCCC2)c1.CCC(C)c1cccc(C(=O)OC2(CC)CCCCC2)c1
InChIInChI=1S/C21H30O2.C19H28O2.C18H26O2.C17H24O2.C15H22O2.2C14H20O2.C13H18O2.8CH4/c1-14-12-17-13-16(10-11-19(17)15(14)2)20(22)23-21(3,4)18-8-6-5-7-9-18;1-4-15(3)16-10-9-11-17(14-16)18(20)21-19(5-2)12-7-6-8-13-19;1-4-14(2)15-9-8-10-16(13-15)17(19)20-18(3)11-6-5-7-12-18;1-4-13(2)14-8-7-9-15(12-14)16(18)19-17(3)10-5-6-11-17;1-5-12(4)15(16)17-14(6-2)13-9-7-11(3)8-10-13;1-5-11(3)14(15)16-12(4)13-8-6-10(2)7-9-13;1-5-14(3,4)13(15)16-11(2)12-9-7-6-8-10-12;1-4-10(2)13(14)15-11(3)12-8-6-5-7-9-12;;;;;;;;/h10-11,13-15,18H,5-9,12H2,1-4H3;9-11,14-15H,4-8,12-13H2,1-3H3;8-10,13-14H,4-7,11-12H2,1-3H3;7-9,12-13H,4-6,10-11H2,1-3H3;7-10,12,14H,5-6H2,1-4H3;6-9,11-12H,5H2,1-4H3;6-11H,5H2,1-4H3;5-11H,4H2,1-3H3;8*1H4
InChIKeyNVTCEVWJBJABGH-UHFFFAOYSA-N
MW2147.27 g/mol
LogP40.57
Rot. Bonds33

About 2-cyclohexylpropan-2-yl 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate;(1-ethylcyclohexyl) 3-butan-2-ylbenzoate;methane;(1-methylcyclohexyl) 3-butan-2-ylbenzoate;(1-methylcyclopentyl) 3-butan-2-ylbenzoate;1-(4-methylphenyl)ethyl 2-methylbutanoate;1-(4-methylphenyl)propyl 2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;1-phenylethyl 2-methylbutanoate

2-cyclohexylpropan-2-yl 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate;(1-ethylcyclohexyl) 3-butan-2-ylbenzoate;methane;(1-methylcyclohexyl) 3-butan-2-ylbenzoate;(1-methylcyclopentyl) 3-butan-2-ylbenzoate;1-(4-methylphenyl)ethyl 2-methylbutanoate;1-(4-methylphenyl)propyl 2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;1-phenylethyl 2-methylbutanoate (PubChem CID 159899299) has the molecular formula C139H220O16 and a molecular weight of 2147.27 g/mol. Its IUPAC name is 2-cyclohexylpropan-2-yl 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate;(1-ethylcyclohexyl) 3-butan-2-ylbenzoate;methane;(1-methylcyclohexyl) 3-butan-2-ylbenzoate;(1-methylcyclopentyl) 3-butan-2-ylbenzoate;1-(4-methylphenyl)ethyl 2-methylbutanoate;1-(4-methylphenyl)propyl 2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;1-phenylethyl 2-methylbutanoate.

Molecular Properties

Compound Name2-cyclohexylpropan-2-yl 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate;(1-ethylcyclohexyl) 3-butan-2-ylbenzoate;methane;(1-methylcyclohexyl) 3-butan-2-ylbenzoate;(1-methylcyclopentyl) 3-butan-2-ylbenzoate;1-(4-methylphenyl)ethyl 2-methylbutanoate;1-(4-methylphenyl)propyl 2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;1-phenylethyl 2-methylbutanoate
PubChem CID159899299
Molecular FormulaC139H220O16
Molecular Weight2147.27 g/mol
Exact Mass2145.64
IUPAC Name2-cyclohexylpropan-2-yl 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate;(1-ethylcyclohexyl) 3-butan-2-ylbenzoate;methane;(1-methylcyclohexyl) 3-butan-2-ylbenzoate;(1-methylcyclopentyl) 3-butan-2-ylbenzoate;1-(4-methylphenyl)ethyl 2-methylbutanoate;1-(4-methylphenyl)propyl 2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;1-phenylethyl 2-methylbutanoate
SMILESC.C.C.C.C.C.C.C.CC1Cc2cc(C(=O)OC(C)(C)C3CCCCC3)ccc2C1C.CCC(C)(C)C(=O)OC(C)c1ccccc1.CCC(C)C(=O)OC(C)c1ccc(C)cc1.CCC(C)C(=O)OC(C)c1ccccc1.CCC(C)C(=O)OC(CC)c1ccc(C)cc1.CCC(C)c1cccc(C(=O)OC2(C)CCCC2)c1.CCC(C)c1cccc(C(=O)OC2(C)CCCCC2)c1.CCC(C)c1cccc(C(=O)OC2(CC)CCCCC2)c1
InChIInChI=1S/C21H30O2.C19H28O2.C18H26O2.C17H24O2.C15H22O2.2C14H20O2.C13H18O2.8CH4/c1-14-12-17-13-16(10-11-19(17)15(14)2)20(22)23-21(3,4)18-8-6-5-7-9-18;1-4-15(3)16-10-9-11-17(14-16)18(20)21-19(5-2)12-7-6-8-13-19;1-4-14(2)15-9-8-10-16(13-15)17(19)20-18(3)11-6-5-7-12-18;1-4-13(2)14-8-7-9-15(12-14)16(18)19-17(3)10-5-6-11-17;1-5-12(4)15(16)17-14(6-2)13-9-7-11(3)8-10-13;1-5-11(3)14(15)16-12(4)13-8-6-10(2)7-9-13;1-5-14(3,4)13(15)16-11(2)12-9-7-6-8-10-12;1-4-10(2)13(14)15-11(3)12-8-6-5-7-9-12;;;;;;;;/h10-11,13-15,18H,5-9,12H2,1-4H3;9-11,14-15H,4-8,12-13H2,1-3H3;8-10,13-14H,4-7,11-12H2,1-3H3;7-9,12-13H,4-6,10-11H2,1-3H3;7-10,12,14H,5-6H2,1-4H3;6-9,11-12H,5H2,1-4H3;6-11H,5H2,1-4H3;5-11H,4H2,1-3H3;8*1H4
InChIKeyNVTCEVWJBJABGH-UHFFFAOYSA-N
XLogP40.57
TPSA210.40 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds33
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002147.27
LogP ≤ 540.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 2-cyclohexylpropan-2-yl 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate;(1-ethylcyclohexyl) 3-butan-2-ylbenzoate;methane;(1-methylcyclohexyl) 3-butan-2-ylbenzoate;(1-methylcyclopentyl) 3-butan-2-ylbenzoate;1-(4-methylphenyl)ethyl 2-methylbutanoate;1-(4-methylphenyl)propyl 2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;1-phenylethyl 2-methylbutanoate 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

tert-butyl 3-butan-2-ylbenzoate;2-cyclohexylpropan-2-yl 3-butan-2-ylbenzoate;2-cyclopentylpropan-2-yl 3-butan-2-ylbenzoate;(1-ethylcyclohexyl) 4-butan-2-ylbenzoate;(1-ethylcyclopentyl) 3-butan-2-ylbenzoate;2-methylbutan-2-yl 3-butan-2-ylbenzoate;(1-methylcyclopentyl) 3-butan-2-ylbenzoate
CID 160673572
2-cyclohexylpropan-2-yl 3-butan-2-ylbenzoate
CID 59409220
2-cyclohexylpropan-2-yl 2-(3-butan-2-ylphenoxy)acetate;(1-ethylcyclopentyl) 2-(5-butan-2-ylnaphthalen-1-yl)oxyacetate;1-phenylethyl 2-(4-butan-2-ylphenoxy)acetate;1-phenylethyl 2,2-dimethylbutanoate
CID 159309145
(1-methylcyclopentyl) 3-butan-2-ylbenzoate
CID 59409248
2-O-[2-[2-(1-adamantyl)propan-2-yloxy]-2-oxoethyl] 1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] cyclohexane-1,2-dicarboxylate;(1-ethylcyclohexyl) 3-butan-2-ylbenzoate;(1-ethylcyclopentyl) 4-(1,1,1-trifluoro-2-methylbutan-2-yl)benzoate;(1-methylcyclohexyl) 3-butan-2-ylbenzoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-butan-2-ylbenzoate
CID 157133193
2,3-dihydro-1H-inden-1-yl 2,2-dimethylbutanoate;2,3-dihydro-1H-inden-1-yl 2-methylbutanoate;methane;1-[4-(4-methylphenyl)phenyl]ethyl 2,2-dimethylbutanoate;1-[4-(4-methylphenyl)phenyl]ethyl 2-methylbutanoate;1-(4-phenylphenyl)ethyl 2,2-dimethylbutanoate;1-(4-phenylphenyl)ethyl 2-methylbutanoate;1,2,3,4-tetrahydronaphthalen-1-yl 2,2-dimethylbutanoate;1,2,3,4-tetrahydronaphthalen-1-yl 2-methylbutanoate
CID 159676238
2-cyclopentylpropan-2-yl 4-butan-2-ylbenzoate
CID 59409193
1-adamantyl 2,2-dimethylbutanoate;4-butan-2-ylphenol;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;bis((1-ethylcyclopentyl) 2,2-dimethylbutanoate);tetrakis(2-methoxyethyl 2,2-dimethylbutanoate)
CID 161085549
(1-ethylcyclohexyl) 3-(5-ethyl-2,2,5-trimethylheptan-4-yl)benzoate
CID 123675780
methane;(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2,2-dimethylbutanoate;(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2-methylbutanoate;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl 2,2-dimethylbutanoate;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl 2-methylbutanoate
CID 158257717
4-butan-2-ylphenol;2-(2,3-dihydro-1H-inden-2-yl)propan-2-yl 2,2-dimethylbutanoate;1,2-dimethyl-2,3-dihydro-1H-inden-4-ol
CID 159520538
[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-methylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2-methylbutanoate
CID 160921526

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylpropan-2-yl 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate;(1-ethylcyclohexyl) 3-butan-2-ylbenzoate;methane;(1-methylcyclohexyl) 3-butan-2-ylbenzoate;(1-methylcyclopentyl) 3-butan-2-ylbenzoate;1-(4-methylphenyl)ethyl 2-methylbutanoate;1-(4-methylphenyl)propyl 2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;1-phenylethyl 2-methylbutanoate?
The IUPAC name of 2-cyclohexylpropan-2-yl 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate;(1-ethylcyclohexyl) 3-butan-2-ylbenzoate;methane;(1-methylcyclohexyl) 3-butan-2-ylbenzoate;(1-methylcyclopentyl) 3-butan-2-ylbenzoate;1-(4-methylphenyl)ethyl 2-methylbutanoate;1-(4-methylphenyl)propyl 2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;1-phenylethyl 2-methylbutanoate (CID 159899299) is 2-cyclohexylpropan-2-yl 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate;(1-ethylcyclohexyl) 3-butan-2-ylbenzoate;methane;(1-methylcyclohexyl) 3-butan-2-ylbenzoate;(1-methylcyclopentyl) 3-butan-2-ylbenzoate;1-(4-methylphenyl)ethyl 2-methylbutanoate;1-(4-methylphenyl)propyl 2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;1-phenylethyl 2-methylbutanoate.
What is the SMILES notation for 2-cyclohexylpropan-2-yl 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate;(1-ethylcyclohexyl) 3-butan-2-ylbenzoate;methane;(1-methylcyclohexyl) 3-butan-2-ylbenzoate;(1-methylcyclopentyl) 3-butan-2-ylbenzoate;1-(4-methylphenyl)ethyl 2-methylbutanoate;1-(4-methylphenyl)propyl 2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;1-phenylethyl 2-methylbutanoate?
The canonical SMILES for 2-cyclohexylpropan-2-yl 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate;(1-ethylcyclohexyl) 3-butan-2-ylbenzoate;methane;(1-methylcyclohexyl) 3-butan-2-ylbenzoate;(1-methylcyclopentyl) 3-butan-2-ylbenzoate;1-(4-methylphenyl)ethyl 2-methylbutanoate;1-(4-methylphenyl)propyl 2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;1-phenylethyl 2-methylbutanoate is C.C.C.C.C.C.C.C.CC1Cc2cc(C(=O)OC(C)(C)C3CCCCC3)ccc2C1C.CCC(C)(C)C(=O)OC(C)c1ccccc1.CCC(C)C(=O)OC(C)c1ccc(C)cc1.CCC(C)C(=O)OC(C)c1ccccc1.CCC(C)C(=O)OC(CC)c1ccc(C)cc1.CCC(C)c1cccc(C(=O)OC2(C)CCCC2)c1.CCC(C)c1cccc(C(=O)OC2(C)CCCCC2)c1.CCC(C)c1cccc(C(=O)OC2(CC)CCCCC2)c1.
What is the InChIKey of 2-cyclohexylpropan-2-yl 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate;(1-ethylcyclohexyl) 3-butan-2-ylbenzoate;methane;(1-methylcyclohexyl) 3-butan-2-ylbenzoate;(1-methylcyclopentyl) 3-butan-2-ylbenzoate;1-(4-methylphenyl)ethyl 2-methylbutanoate;1-(4-methylphenyl)propyl 2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;1-phenylethyl 2-methylbutanoate?
The InChIKey is NVTCEVWJBJABGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30O2.C19H28O2.C18H26O2.C17H24O2.C15H22O2.2C14H20O2.C13H18O2.8CH4/c1-14-12-17-13-16(10-11-19(17)15(14)2)20(22)23-21(3,4)18-8-6-5-7-9-18;1-4-15(3)16-10-9-11-17(14-16)18(20)21-19(5-2)12-7-6-8-13-19;1-4-14(2)15-9-8-10-16(13-15)17(19)20-18(3)11-6-5-7-12-18;1-4-13(2)14-8-7-9-15(12-14)16(18)19-17(3)10-5-6-11-17;1-5-12(4)15(16)17-14(6-2)13-9-7-11(3)8-10-13;1-5-11(3)14(15)16-12(4)13-8-6-10(2)7-9-13;1-5-14(3,4)13(15)16-11(2)12-9-7-6-8-10-12;1-4-10(2)13(14)15-11(3)12-8-6-5-7-9-12;;;;;;;;/h10-11,13-15,18H,5-9,12H2,1-4H3;9-11,14-15H,4-8,12-13H2,1-3H3;8-10,13-14H,4-7,11-12H2,1-3H3;7-9,12-13H,4-6,10-11H2,1-3H3;7-10,12,14H,5-6H2,1-4H3;6-9,11-12H,5H2,1-4H3;6-11H,5H2,1-4H3;5-11H,4H2,1-3H3;8*1H4.
What are the key properties of 2-cyclohexylpropan-2-yl 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate;(1-ethylcyclohexyl) 3-butan-2-ylbenzoate;methane;(1-methylcyclohexyl) 3-butan-2-ylbenzoate;(1-methylcyclopentyl) 3-butan-2-ylbenzoate;1-(4-methylphenyl)ethyl 2-methylbutanoate;1-(4-methylphenyl)propyl 2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;1-phenylethyl 2-methylbutanoate?
2-cyclohexylpropan-2-yl 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate;(1-ethylcyclohexyl) 3-butan-2-ylbenzoate;methane;(1-methylcyclohexyl) 3-butan-2-ylbenzoate;(1-methylcyclopentyl) 3-butan-2-ylbenzoate;1-(4-methylphenyl)ethyl 2-methylbutanoate;1-(4-methylphenyl)propyl 2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;1-phenylethyl 2-methylbutanoate has a molecular weight of 2147.27 g/mol, XLogP of 40.57, 33 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylpropan-2-yl 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate;(1-ethylcyclohexyl) 3-butan-2-ylbenzoate;methane;(1-methylcyclohexyl) 3-butan-2-ylbenzoate;(1-methylcyclopentyl) 3-butan-2-ylbenzoate;1-(4-methylphenyl)ethyl 2-methylbutanoate;1-(4-methylphenyl)propyl 2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;1-phenylethyl 2-methylbutanoate is sourced from PubChem (CID 159899299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).