1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;1-butan-2-yl-3-methyl-5-(trifluoromethyl)benzene;tetrakis(2-butan-2-ylnaphthalene);tris(2,2-dimethylbutanoic acid);2,2-dimethyl-N-propan-2-ylbutanamide;2-hydroxypropyl 2-methylbutanoate;2-methylbutanoic acid;2-methyl-N-propan-2-ylbutanamide

C130H199F3N2O14 — CID 157191977

IUPAC1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;1-butan-2-yl-3-methyl-5-(trifluoromethyl)benzene;tetrakis(2-butan-2-ylnaphthalene);tris(2,2-dimethylbutanoic acid);2,2-dimethyl-N-propan-2-ylbutanamide;2-hydroxypropyl 2-methylbutanoate;2-methylbutanoic acid;2-methyl-N-propan-2-ylbutanamide
SMILESCCC(C)(C)C(=O)NC(C)C.CCC(C)(C)C(=O)O.CCC(C)(C)C(=O)O.CCC(C)(C)C(=O)O.CCC(C)C(=O)NC(C)C.CCC(C)C(=O)O.CCC(C)C(=O)OCC(C)O.CCC(C)c1cc(C)cc(C(F)(F)F)c1.CCC(C)c1ccc(OC(C)(C)C)cc1.CCC(C)c1ccc2ccccc2c1.CCC(C)c1ccc2ccccc2c1.CCC(C)c1ccc2ccccc2c1.CCC(C)c1ccc2ccccc2c1
InChIInChI=1S/C14H22O.4C14H16.C12H15F3.C9H19NO.C8H17NO.C8H16O3.3C6H12O2.C5H10O2/c1-6-11(2)12-7-9-13(10-8-12)15-14(3,4)5;4*1-3-11(2)13-9-8-12-6-4-5-7-14(12)10-13;1-4-9(3)10-5-8(2)6-11(7-10)12(13,14)15;1-6-9(4,5)8(11)10-7(2)3;1-5-7(4)8(10)9-6(2)3;1-4-6(2)8(10)11-5-7(3)9;3*1-4-6(2,3)5(7)8;1-3-4(2)5(6)7/h7-11H,6H2,1-5H3;4*4-11H,3H2,1-2H3;5-7,9H,4H2,1-3H3;7H,6H2,1-5H3,(H,10,11);6-7H,5H2,1-4H3,(H,9,10);6-7,9H,4-5H2,1-3H3;3*4H2,1-3H3,(H,7,8);4H,3H2,1-2H3,(H,6,7)
InChIKeyAPUNUIBGIHHXMD-UHFFFAOYSA-N
MW2071.02 g/mol
LogP36.42
Rot. Bonds31

About 1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;1-butan-2-yl-3-methyl-5-(trifluoromethyl)benzene;tetrakis(2-butan-2-ylnaphthalene);tris(2,2-dimethylbutanoic acid);2,2-dimethyl-N-propan-2-ylbutanamide;2-hydroxypropyl 2-methylbutanoate;2-methylbutanoic acid;2-methyl-N-propan-2-ylbutanamide

1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;1-butan-2-yl-3-methyl-5-(trifluoromethyl)benzene;tetrakis(2-butan-2-ylnaphthalene);tris(2,2-dimethylbutanoic acid);2,2-dimethyl-N-propan-2-ylbutanamide;2-hydroxypropyl 2-methylbutanoate;2-methylbutanoic acid;2-methyl-N-propan-2-ylbutanamide (PubChem CID 157191977) has the molecular formula C130H199F3N2O14 and a molecular weight of 2071.02 g/mol. Its IUPAC name is 1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;1-butan-2-yl-3-methyl-5-(trifluoromethyl)benzene;tetrakis(2-butan-2-ylnaphthalene);tris(2,2-dimethylbutanoic acid);2,2-dimethyl-N-propan-2-ylbutanamide;2-hydroxypropyl 2-methylbutanoate;2-methylbutanoic acid;2-methyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;1-butan-2-yl-3-methyl-5-(trifluoromethyl)benzene;tetrakis(2-butan-2-ylnaphthalene);tris(2,2-dimethylbutanoic acid);2,2-dimethyl-N-propan-2-ylbutanamide;2-hydroxypropyl 2-methylbutanoate;2-methylbutanoic acid;2-methyl-N-propan-2-ylbutanamide
PubChem CID157191977
Molecular FormulaC130H199F3N2O14
Molecular Weight2071.02 g/mol
Exact Mass2069.49
IUPAC Name1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;1-butan-2-yl-3-methyl-5-(trifluoromethyl)benzene;tetrakis(2-butan-2-ylnaphthalene);tris(2,2-dimethylbutanoic acid);2,2-dimethyl-N-propan-2-ylbutanamide;2-hydroxypropyl 2-methylbutanoate;2-methylbutanoic acid;2-methyl-N-propan-2-ylbutanamide
SMILESCCC(C)(C)C(=O)NC(C)C.CCC(C)(C)C(=O)O.CCC(C)(C)C(=O)O.CCC(C)(C)C(=O)O.CCC(C)C(=O)NC(C)C.CCC(C)C(=O)O.CCC(C)C(=O)OCC(C)O.CCC(C)c1cc(C)cc(C(F)(F)F)c1.CCC(C)c1ccc(OC(C)(C)C)cc1.CCC(C)c1ccc2ccccc2c1.CCC(C)c1ccc2ccccc2c1.CCC(C)c1ccc2ccccc2c1.CCC(C)c1ccc2ccccc2c1
InChIInChI=1S/C14H22O.4C14H16.C12H15F3.C9H19NO.C8H17NO.C8H16O3.3C6H12O2.C5H10O2/c1-6-11(2)12-7-9-13(10-8-12)15-14(3,4)5;4*1-3-11(2)13-9-8-12-6-4-5-7-14(12)10-13;1-4-9(3)10-5-8(2)6-11(7-10)12(13,14)15;1-6-9(4,5)8(11)10-7(2)3;1-5-7(4)8(10)9-6(2)3;1-4-6(2)8(10)11-5-7(3)9;3*1-4-6(2,3)5(7)8;1-3-4(2)5(6)7/h7-11H,6H2,1-5H3;4*4-11H,3H2,1-2H3;5-7,9H,4H2,1-3H3;7H,6H2,1-5H3,(H,10,11);6-7H,5H2,1-4H3,(H,9,10);6-7,9H,4-5H2,1-3H3;3*4H2,1-3H3,(H,7,8);4H,3H2,1-2H3,(H,6,7)
InChIKeyAPUNUIBGIHHXMD-UHFFFAOYSA-N
XLogP36.42
TPSA263.16 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds31
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002071.02
LogP ≤ 536.42
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Analyze 1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;1-butan-2-yl-3-methyl-5-(trifluoromethyl)benzene;tetrakis(2-butan-2-ylnaphthalene);tris(2,2-dimethylbutanoic acid);2,2-dimethyl-N-propan-2-ylbutanamide;2-hydroxypropyl 2-methylbutanoate;2-methylbutanoic acid;2-methyl-N-propan-2-ylbutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;1-butan-2-yl-3-methyl-5-(trifluoromethyl)benzene;tetrakis(2-butan-2-ylnaphthalene);tris(2,2-dimethylbutanoic acid);2,2-dimethyl-N-propan-2-ylbutanamide;2-hydroxypropyl 2-methylbutanoate;2-methylbutanoic acid;2-methyl-N-propan-2-ylbutanamide?
The IUPAC name of 1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;1-butan-2-yl-3-methyl-5-(trifluoromethyl)benzene;tetrakis(2-butan-2-ylnaphthalene);tris(2,2-dimethylbutanoic acid);2,2-dimethyl-N-propan-2-ylbutanamide;2-hydroxypropyl 2-methylbutanoate;2-methylbutanoic acid;2-methyl-N-propan-2-ylbutanamide (CID 157191977) is 1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;1-butan-2-yl-3-methyl-5-(trifluoromethyl)benzene;tetrakis(2-butan-2-ylnaphthalene);tris(2,2-dimethylbutanoic acid);2,2-dimethyl-N-propan-2-ylbutanamide;2-hydroxypropyl 2-methylbutanoate;2-methylbutanoic acid;2-methyl-N-propan-2-ylbutanamide.
What is the SMILES notation for 1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;1-butan-2-yl-3-methyl-5-(trifluoromethyl)benzene;tetrakis(2-butan-2-ylnaphthalene);tris(2,2-dimethylbutanoic acid);2,2-dimethyl-N-propan-2-ylbutanamide;2-hydroxypropyl 2-methylbutanoate;2-methylbutanoic acid;2-methyl-N-propan-2-ylbutanamide?
The canonical SMILES for 1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;1-butan-2-yl-3-methyl-5-(trifluoromethyl)benzene;tetrakis(2-butan-2-ylnaphthalene);tris(2,2-dimethylbutanoic acid);2,2-dimethyl-N-propan-2-ylbutanamide;2-hydroxypropyl 2-methylbutanoate;2-methylbutanoic acid;2-methyl-N-propan-2-ylbutanamide is CCC(C)(C)C(=O)NC(C)C.CCC(C)(C)C(=O)O.CCC(C)(C)C(=O)O.CCC(C)(C)C(=O)O.CCC(C)C(=O)NC(C)C.CCC(C)C(=O)O.CCC(C)C(=O)OCC(C)O.CCC(C)c1cc(C)cc(C(F)(F)F)c1.CCC(C)c1ccc(OC(C)(C)C)cc1.CCC(C)c1ccc2ccccc2c1.CCC(C)c1ccc2ccccc2c1.CCC(C)c1ccc2ccccc2c1.CCC(C)c1ccc2ccccc2c1.
What is the InChIKey of 1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;1-butan-2-yl-3-methyl-5-(trifluoromethyl)benzene;tetrakis(2-butan-2-ylnaphthalene);tris(2,2-dimethylbutanoic acid);2,2-dimethyl-N-propan-2-ylbutanamide;2-hydroxypropyl 2-methylbutanoate;2-methylbutanoic acid;2-methyl-N-propan-2-ylbutanamide?
The InChIKey is APUNUIBGIHHXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O.4C14H16.C12H15F3.C9H19NO.C8H17NO.C8H16O3.3C6H12O2.C5H10O2/c1-6-11(2)12-7-9-13(10-8-12)15-14(3,4)5;4*1-3-11(2)13-9-8-12-6-4-5-7-14(12)10-13;1-4-9(3)10-5-8(2)6-11(7-10)12(13,14)15;1-6-9(4,5)8(11)10-7(2)3;1-5-7(4)8(10)9-6(2)3;1-4-6(2)8(10)11-5-7(3)9;3*1-4-6(2,3)5(7)8;1-3-4(2)5(6)7/h7-11H,6H2,1-5H3;4*4-11H,3H2,1-2H3;5-7,9H,4H2,1-3H3;7H,6H2,1-5H3,(H,10,11);6-7H,5H2,1-4H3,(H,9,10);6-7,9H,4-5H2,1-3H3;3*4H2,1-3H3,(H,7,8);4H,3H2,1-2H3,(H,6,7).
What are the key properties of 1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;1-butan-2-yl-3-methyl-5-(trifluoromethyl)benzene;tetrakis(2-butan-2-ylnaphthalene);tris(2,2-dimethylbutanoic acid);2,2-dimethyl-N-propan-2-ylbutanamide;2-hydroxypropyl 2-methylbutanoate;2-methylbutanoic acid;2-methyl-N-propan-2-ylbutanamide?
1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;1-butan-2-yl-3-methyl-5-(trifluoromethyl)benzene;tetrakis(2-butan-2-ylnaphthalene);tris(2,2-dimethylbutanoic acid);2,2-dimethyl-N-propan-2-ylbutanamide;2-hydroxypropyl 2-methylbutanoate;2-methylbutanoic acid;2-methyl-N-propan-2-ylbutanamide has a molecular weight of 2071.02 g/mol, XLogP of 36.42, 31 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;1-butan-2-yl-3-methyl-5-(trifluoromethyl)benzene;tetrakis(2-butan-2-ylnaphthalene);tris(2,2-dimethylbutanoic acid);2,2-dimethyl-N-propan-2-ylbutanamide;2-hydroxypropyl 2-methylbutanoate;2-methylbutanoic acid;2-methyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 157191977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).