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

C156H240O16 — CID 159676238

About 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

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 (PubChem CID 159676238) has the molecular formula C156H240O16 and a molecular weight of 2371.62 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159676238
• Molecular Formula: C156H240O16
• Molecular Weight: 2371.62 g/mol
• Exact Mass: 2369.80
• IUPAC Name: 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
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OC(C)c1ccc(-c2ccc(C)cc2)cc1.CCC(C)(C)C(=O)OC(C)c1ccc(-c2ccccc2)cc1.CCC(C)(C)C(=O)OC1CCCc2ccccc21.CCC(C)(C)C(=O)OC1CCc2ccccc21.CCC(C)C(=O)OC(C)c1ccc(-c2ccc(C)cc2)cc1.CCC(C)C(=O)OC(C)c1ccc(-c2ccccc2)cc1.CCC(C)C(=O)OC1CCCc2ccccc21.CCC(C)C(=O)OC1CCc2ccccc21
• InChI: InChI=1S/C21H26O2.2C20H24O2.C19H22O2.C16H22O2.2C15H20O2.C14H18O2.16CH4/c1-6-21(4,5)20(22)23-16(3)17-11-13-19(14-12-17)18-9-7-15(2)8-10-18;1-5-15(3)20(21)22-16(4)17-10-12-19(13-11-17)18-8-6-14(2)7-9-18;1-5-20(3,4)19(21)22-15(2)16-11-13-18(14-12-16)17-9-7-6-8-10-17;1-4-14(2)19(20)21-15(3)16-10-12-18(13-11-16)17-8-6-5-7-9-17;1-4-16(2,3)15(17)18-14-11-7-9-12-8-5-6-10-13(12)14;1-4-15(2,3)14(16)17-13-10-9-11-7-5-6-8-12(11)13;1-3-11(2)15(16)17-14-10-6-8-12-7-4-5-9-13(12)14;1-3-10(2)14(15)16-13-9-8-11-6-4-5-7-12(11)13;;;;;;;;;;;;;;;;/h7-14,16H,6H2,1-5H3;6-13,15-16H,5H2,1-4H3;6-15H,5H2,1-4H3;5-15H,4H2,1-3H3;5-6,8,10,14H,4,7,9,11H2,1-3H3;5-8,13H,4,9-10H2,1-3H3;4-5,7,9,11,14H,3,6,8,10H2,1-2H3;4-7,10,13H,3,8-9H2,1-2H3;16*1H4
• InChIKey: MUQAFOGIZSOXQA-UHFFFAOYSA-N
• XLogP: 46.20
• TPSA: 210.40 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 32
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2371.62
LogP ≤ 5	46.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OC(C)c1ccc(-c2ccc(C)cc2)cc1.CCC(C)(C)C(=O)OC(C)c1ccc(-c2ccccc2)cc1.CCC(C)(C)C(=O)OC1CCCc2ccccc21.CCC(C)(C)C(=O)OC1CCc2ccccc21.CCC(C)C(=O)OC(C)c1ccc(-c2ccc(C)cc2)cc1.CCC(C)C(=O)OC(C)c1ccc(-c2ccccc2)cc1.CCC(C)C(=O)OC1CCCc2ccccc21.CCC(C)C(=O)OC1CCc2ccccc21.

What is the InChIKey of 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?

The InChIKey is MUQAFOGIZSOXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O2.2C20H24O2.C19H22O2.C16H22O2.2C15H20O2.C14H18O2.16CH4/c1-6-21(4,5)20(22)23-16(3)17-11-13-19(14-12-17)18-9-7-15(2)8-10-18;1-5-15(3)20(21)22-16(4)17-10-12-19(13-11-17)18-8-6-14(2)7-9-18;1-5-20(3,4)19(21)22-15(2)16-11-13-18(14-12-16)17-9-7-6-8-10-17;1-4-14(2)19(20)21-15(3)16-10-12-18(13-11-16)17-8-6-5-7-9-17;1-4-16(2,3)15(17)18-14-11-7-9-12-8-5-6-10-13(12)14;1-4-15(2,3)14(16)17-13-10-9-11-7-5-6-8-12(11)13;1-3-11(2)15(16)17-14-10-6-8-12-7-4-5-9-13(12)14;1-3-10(2)14(15)16-13-9-8-11-6-4-5-7-12(11)13;;;;;;;;;;;;;;;;/h7-14,16H,6H2,1-5H3;6-13,15-16H,5H2,1-4H3;6-15H,5H2,1-4H3;5-15H,4H2,1-3H3;5-6,8,10,14H,4,7,9,11H2,1-3H3;5-8,13H,4,9-10H2,1-3H3;4-5,7,9,11,14H,3,6,8,10H2,1-2H3;4-7,10,13H,3,8-9H2,1-2H3;16*1H4.

What are the key properties of 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?

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 has a molecular weight of 2371.62 g/mol, XLogP of 46.20, 32 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159676238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).