(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-amine;bis(6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-ol);2-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl]isoindole-1,3-dione;[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl] 4-nitrobenzoate;2-chloro-5-fluoro-6-[[(3R)-2-methylheptan-3-yl]amino]pyridine-3-carbonitrile;5-methylhexane-1,4-diol;2-methylhex-5-en-3-one

C108H204ClFN6O16Si5 — CID 158606565

IUPAC(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-amine;bis(6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-ol);2-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl]isoindole-1,3-dione;[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl] 4-nitrobenzoate;2-chloro-5-fluoro-6-[[(3R)-2-methylheptan-3-yl]amino]pyridine-3-carbonitrile;5-methylhexane-1,4-diol;2-methylhex-5-en-3-one
SMILESC=CCC(=O)C(C)C.CC(C)C(CCCO[Si](C)(C)C(C)(C)C)OC(=O)c1ccc([N+](=O)[O-])cc1.CC(C)C(O)CCCO.CC(C)C(O)CCCO[Si](C)(C)C(C)(C)C.CC(C)C(O)CCCO[Si](C)(C)C(C)(C)C.CC(C)[C@@H](CCCO[Si](C)(C)C(C)(C)C)N1C(=O)c2ccccc2C1=O.CC(C)[C@H](N)CCCO[Si](C)(C)C(C)(C)C.CCCC[C@@H](Nc1nc(Cl)c(C#N)cc1F)C(C)C
InChIInChI=1S/C21H33NO3Si.C20H33NO5Si.C14H19ClFN3.C13H31NOSi.2C13H30O2Si.C7H16O2.C7H12O/c1-15(2)18(13-10-14-25-26(6,7)21(3,4)5)22-19(23)16-11-8-9-12-17(16)20(22)24;1-15(2)18(9-8-14-25-27(6,7)20(3,4)5)26-19(22)16-10-12-17(13-11-16)21(23)24;1-4-5-6-12(9(2)3)18-14-11(16)7-10(8-17)13(15)19-14;3*1-11(2)12(14)9-8-10-15-16(6,7)13(3,4)5;1-6(2)7(9)4-3-5-8;1-4-5-7(8)6(2)3/h8-9,11-12,15,18H,10,13-14H2,1-7H3;10-13,15,18H,8-9,14H2,1-7H3;7,9,12H,4-6H2,1-3H3,(H,18,19);11-12H,8-10,14H2,1-7H3;2*11-12,14H,8-10H2,1-7H3;6-9H,3-5H2,1-2H3;4,6H,1,5H2,2-3H3/t18-;;2*12-;;;;/m1.11..../s1
InChIKeyHWHNHACQUUYPLU-BRAPJQHVSA-N
MW2037.73 g/mol
LogP29.01
Rot. Bonds47

About (3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-amine;bis(6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-ol);2-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl]isoindole-1,3-dione;[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl] 4-nitrobenzoate;2-chloro-5-fluoro-6-[[(3R)-2-methylheptan-3-yl]amino]pyridine-3-carbonitrile;5-methylhexane-1,4-diol;2-methylhex-5-en-3-one

(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-amine;bis(6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-ol);2-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl]isoindole-1,3-dione;[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl] 4-nitrobenzoate;2-chloro-5-fluoro-6-[[(3R)-2-methylheptan-3-yl]amino]pyridine-3-carbonitrile;5-methylhexane-1,4-diol;2-methylhex-5-en-3-one (PubChem CID 158606565) has the molecular formula C108H204ClFN6O16Si5 and a molecular weight of 2037.73 g/mol. Its IUPAC name is (3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-amine;bis(6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-ol);2-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl]isoindole-1,3-dione;[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl] 4-nitrobenzoate;2-chloro-5-fluoro-6-[[(3R)-2-methylheptan-3-yl]amino]pyridine-3-carbonitrile;5-methylhexane-1,4-diol;2-methylhex-5-en-3-one.

Molecular Properties

Compound Name(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-amine;bis(6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-ol);2-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl]isoindole-1,3-dione;[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl] 4-nitrobenzoate;2-chloro-5-fluoro-6-[[(3R)-2-methylheptan-3-yl]amino]pyridine-3-carbonitrile;5-methylhexane-1,4-diol;2-methylhex-5-en-3-one
PubChem CID158606565
Molecular FormulaC108H204ClFN6O16Si5
Molecular Weight2037.73 g/mol
Exact Mass2035.39
IUPAC Name(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-amine;bis(6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-ol);2-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl]isoindole-1,3-dione;[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl] 4-nitrobenzoate;2-chloro-5-fluoro-6-[[(3R)-2-methylheptan-3-yl]amino]pyridine-3-carbonitrile;5-methylhexane-1,4-diol;2-methylhex-5-en-3-one
SMILESC=CCC(=O)C(C)C.CC(C)C(CCCO[Si](C)(C)C(C)(C)C)OC(=O)c1ccc([N+](=O)[O-])cc1.CC(C)C(O)CCCO.CC(C)C(O)CCCO[Si](C)(C)C(C)(C)C.CC(C)C(O)CCCO[Si](C)(C)C(C)(C)C.CC(C)[C@@H](CCCO[Si](C)(C)C(C)(C)C)N1C(=O)c2ccccc2C1=O.CC(C)[C@H](N)CCCO[Si](C)(C)C(C)(C)C.CCCC[C@@H](Nc1nc(Cl)c(C#N)cc1F)C(C)C
InChIInChI=1S/C21H33NO3Si.C20H33NO5Si.C14H19ClFN3.C13H31NOSi.2C13H30O2Si.C7H16O2.C7H12O/c1-15(2)18(13-10-14-25-26(6,7)21(3,4)5)22-19(23)16-11-8-9-12-17(16)20(22)24;1-15(2)18(9-8-14-25-27(6,7)20(3,4)5)26-19(22)16-10-12-17(13-11-16)21(23)24;1-4-5-6-12(9(2)3)18-14-11(16)7-10(8-17)13(15)19-14;3*1-11(2)12(14)9-8-10-15-16(6,7)13(3,4)5;1-6(2)7(9)4-3-5-8;1-4-5-7(8)6(2)3/h8-9,11-12,15,18H,10,13-14H2,1-7H3;10-13,15,18H,8-9,14H2,1-7H3;7,9,12H,4-6H2,1-3H3,(H,18,19);11-12H,8-10,14H2,1-7H3;2*11-12,14H,8-10H2,1-7H3;6-9H,3-5H2,1-2H3;4,6H,1,5H2,2-3H3/t18-;;2*12-;;;;/m1.11..../s1
InChIKeyHWHNHACQUUYPLU-BRAPJQHVSA-N
XLogP29.01
TPSA325.69 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds47
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002037.73
LogP ≤ 529.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze (3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-amine;bis(6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-ol);2-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl]isoindole-1,3-dione;[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl] 4-nitrobenzoate;2-chloro-5-fluoro-6-[[(3R)-2-methylheptan-3-yl]amino]pyridine-3-carbonitrile;5-methylhexane-1,4-diol;2-methylhex-5-en-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-amine;bis(6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-ol);2-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl]isoindole-1,3-dione;[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl] 4-nitrobenzoate;2-chloro-5-fluoro-6-[[(3R)-2-methylheptan-3-yl]amino]pyridine-3-carbonitrile;5-methylhexane-1,4-diol;2-methylhex-5-en-3-one?
The IUPAC name of (3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-amine;bis(6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-ol);2-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl]isoindole-1,3-dione;[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl] 4-nitrobenzoate;2-chloro-5-fluoro-6-[[(3R)-2-methylheptan-3-yl]amino]pyridine-3-carbonitrile;5-methylhexane-1,4-diol;2-methylhex-5-en-3-one (CID 158606565) is (3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-amine;bis(6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-ol);2-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl]isoindole-1,3-dione;[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl] 4-nitrobenzoate;2-chloro-5-fluoro-6-[[(3R)-2-methylheptan-3-yl]amino]pyridine-3-carbonitrile;5-methylhexane-1,4-diol;2-methylhex-5-en-3-one.
What is the SMILES notation for (3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-amine;bis(6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-ol);2-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl]isoindole-1,3-dione;[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl] 4-nitrobenzoate;2-chloro-5-fluoro-6-[[(3R)-2-methylheptan-3-yl]amino]pyridine-3-carbonitrile;5-methylhexane-1,4-diol;2-methylhex-5-en-3-one?
The canonical SMILES for (3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-amine;bis(6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-ol);2-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl]isoindole-1,3-dione;[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl] 4-nitrobenzoate;2-chloro-5-fluoro-6-[[(3R)-2-methylheptan-3-yl]amino]pyridine-3-carbonitrile;5-methylhexane-1,4-diol;2-methylhex-5-en-3-one is C=CCC(=O)C(C)C.CC(C)C(CCCO[Si](C)(C)C(C)(C)C)OC(=O)c1ccc([N+](=O)[O-])cc1.CC(C)C(O)CCCO.CC(C)C(O)CCCO[Si](C)(C)C(C)(C)C.CC(C)C(O)CCCO[Si](C)(C)C(C)(C)C.CC(C)[C@@H](CCCO[Si](C)(C)C(C)(C)C)N1C(=O)c2ccccc2C1=O.CC(C)[C@H](N)CCCO[Si](C)(C)C(C)(C)C.CCCC[C@@H](Nc1nc(Cl)c(C#N)cc1F)C(C)C.
What is the InChIKey of (3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-amine;bis(6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-ol);2-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl]isoindole-1,3-dione;[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl] 4-nitrobenzoate;2-chloro-5-fluoro-6-[[(3R)-2-methylheptan-3-yl]amino]pyridine-3-carbonitrile;5-methylhexane-1,4-diol;2-methylhex-5-en-3-one?
The InChIKey is HWHNHACQUUYPLU-BRAPJQHVSA-N. The full InChI is InChI=1S/C21H33NO3Si.C20H33NO5Si.C14H19ClFN3.C13H31NOSi.2C13H30O2Si.C7H16O2.C7H12O/c1-15(2)18(13-10-14-25-26(6,7)21(3,4)5)22-19(23)16-11-8-9-12-17(16)20(22)24;1-15(2)18(9-8-14-25-27(6,7)20(3,4)5)26-19(22)16-10-12-17(13-11-16)21(23)24;1-4-5-6-12(9(2)3)18-14-11(16)7-10(8-17)13(15)19-14;3*1-11(2)12(14)9-8-10-15-16(6,7)13(3,4)5;1-6(2)7(9)4-3-5-8;1-4-5-7(8)6(2)3/h8-9,11-12,15,18H,10,13-14H2,1-7H3;10-13,15,18H,8-9,14H2,1-7H3;7,9,12H,4-6H2,1-3H3,(H,18,19);11-12H,8-10,14H2,1-7H3;2*11-12,14H,8-10H2,1-7H3;6-9H,3-5H2,1-2H3;4,6H,1,5H2,2-3H3/t18-;;2*12-;;;;/m1.11..../s1.
What are the key properties of (3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-amine;bis(6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-ol);2-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl]isoindole-1,3-dione;[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl] 4-nitrobenzoate;2-chloro-5-fluoro-6-[[(3R)-2-methylheptan-3-yl]amino]pyridine-3-carbonitrile;5-methylhexane-1,4-diol;2-methylhex-5-en-3-one?
(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-amine;bis(6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-ol);2-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl]isoindole-1,3-dione;[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl] 4-nitrobenzoate;2-chloro-5-fluoro-6-[[(3R)-2-methylheptan-3-yl]amino]pyridine-3-carbonitrile;5-methylhexane-1,4-diol;2-methylhex-5-en-3-one has a molecular weight of 2037.73 g/mol, XLogP of 29.01, 47 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-amine;bis(6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-ol);2-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl]isoindole-1,3-dione;[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-3-yl] 4-nitrobenzoate;2-chloro-5-fluoro-6-[[(3R)-2-methylheptan-3-yl]amino]pyridine-3-carbonitrile;5-methylhexane-1,4-diol;2-methylhex-5-en-3-one is sourced from PubChem (CID 158606565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).