2,3-dihydro-1H-inden-1-yl 2,2-dimethylbutanoate;2,3-dihydro-1H-inden-1-yl 2-methylbutanoate;2-(2,2-dimethyl-1-propylperoxybutyl)naphthalene;methane;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

C110H176O12 — CID 158008746

About 2,3-dihydro-1H-inden-1-yl 2,2-dimethylbutanoate;2,3-dihydro-1H-inden-1-yl 2-methylbutanoate;2-(2,2-dimethyl-1-propylperoxybutyl)naphthalene;methane;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;2-(2,2-dimethyl-1-propylperoxybutyl)naphthalene;methane;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 158008746) has the molecular formula C110H176O12 and a molecular weight of 1690.61 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;2-(2,2-dimethyl-1-propylperoxybutyl)naphthalene;methane;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;2-(2,2-dimethyl-1-propylperoxybutyl)naphthalene;methane;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: 158008746
• Molecular Formula: C110H176O12
• Molecular Weight: 1690.61 g/mol
• Exact Mass: 1689.32
• IUPAC Name: 2,3-dihydro-1H-inden-1-yl 2,2-dimethylbutanoate;2,3-dihydro-1H-inden-1-yl 2-methylbutanoate;2-(2,2-dimethyl-1-propylperoxybutyl)naphthalene;methane;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.CCC(C)(C)C(=O)OC1CCCc2ccccc21.CCC(C)(C)C(=O)OC1CCc2ccccc21.CCC(C)C(=O)OC(C)c1ccc(-c2ccccc2)cc1.CCC(C)C(=O)OC1CCCc2ccccc21.CCC(C)C(=O)OC1CCc2ccccc21.CCCOOC(c1ccc2ccccc2c1)C(C)(C)CC
• InChI: InChI=1S/C19H26O2.C19H22O2.C16H22O2.2C15H20O2.C14H18O2.12CH4/c1-5-13-20-21-18(19(3,4)6-2)17-12-11-15-9-7-8-10-16(15)14-17;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;;;;;;;;;;;;/h7-12,14,18H,5-6,13H2,1-4H3;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;12*1H4
• InChIKey: FEPVFRZAXGAORG-UHFFFAOYSA-N
• XLogP: 32.93
• TPSA: 149.96 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 24
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1690.61
LogP ≤ 5	32.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', '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;2-(2,2-dimethyl-1-propylperoxybutyl)naphthalene;methane;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;2-(2,2-dimethyl-1-propylperoxybutyl)naphthalene;methane;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 158008746) is 2,3-dihydro-1H-inden-1-yl 2,2-dimethylbutanoate;2,3-dihydro-1H-inden-1-yl 2-methylbutanoate;2-(2,2-dimethyl-1-propylperoxybutyl)naphthalene;methane;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;2-(2,2-dimethyl-1-propylperoxybutyl)naphthalene;methane;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;2-(2,2-dimethyl-1-propylperoxybutyl)naphthalene;methane;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.CCC(C)(C)C(=O)OC1CCCc2ccccc21.CCC(C)(C)C(=O)OC1CCc2ccccc21.CCC(C)C(=O)OC(C)c1ccc(-c2ccccc2)cc1.CCC(C)C(=O)OC1CCCc2ccccc21.CCC(C)C(=O)OC1CCc2ccccc21.CCCOOC(c1ccc2ccccc2c1)C(C)(C)CC.

What is the InChIKey of 2,3-dihydro-1H-inden-1-yl 2,2-dimethylbutanoate;2,3-dihydro-1H-inden-1-yl 2-methylbutanoate;2-(2,2-dimethyl-1-propylperoxybutyl)naphthalene;methane;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 FEPVFRZAXGAORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2.C19H22O2.C16H22O2.2C15H20O2.C14H18O2.12CH4/c1-5-13-20-21-18(19(3,4)6-2)17-12-11-15-9-7-8-10-16(15)14-17;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;;;;;;;;;;;;/h7-12,14,18H,5-6,13H2,1-4H3;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;12*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;2-(2,2-dimethyl-1-propylperoxybutyl)naphthalene;methane;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;2-(2,2-dimethyl-1-propylperoxybutyl)naphthalene;methane;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 1690.61 g/mol, XLogP of 32.93, 24 rotatable bonds, 0 hydrogen bond donors, and 12 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;2-(2,2-dimethyl-1-propylperoxybutyl)naphthalene;methane;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 158008746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).