(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanal;ethane;methyl (3R,8R)-8-acetyloxy-8-[(9R)-7-ethyl-6,10-dioxaspiro[4.5]decan-9-yl]-3-methyloctanoate;methyl (3R)-3-methyl-8-[(7R)-9-methylidene-6,10-dioxaspiro[4.5]decan-7-yl]-8-oxooctanoate;8-methylnon-7-ene-2,4-dione;triphenylphosphane

C100H163O18PSi2 — CID 161411306

IUPAC(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanal;ethane;methyl (3R,8R)-8-acetyloxy-8-[(9R)-7-ethyl-6,10-dioxaspiro[4.5]decan-9-yl]-3-methyloctanoate;methyl (3R)-3-methyl-8-[(7R)-9-methylidene-6,10-dioxaspiro[4.5]decan-7-yl]-8-oxooctanoate;8-methylnon-7-ene-2,4-dione;triphenylphosphane
SMILESC=C1C[C@H](C(=O)CCCC[C@@H](C)CC(=O)OC)OC2(CCCC2)O1.CC.CC(=O)CC(=O)CCC=C(C)C.CC(=O)C[C@@H](CCC=C(C)C)O[Si](C)(C)C(C)(C)C.CC(=O)C[C@@H](CCC=O)O[Si](C)(C)C(C)(C)C.CCC1C[C@H]([C@@H](CCCC[C@@H](C)CC(=O)OC)OC(C)=O)OC2(CCCC2)O1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H38O6.C19H30O5.C18H15P.C16H32O2Si.C13H26O3Si.C10H16O2.C2H6/c1-5-18-15-20(28-22(27-18)12-8-9-13-22)19(26-17(3)23)11-7-6-10-16(2)14-21(24)25-4;1-14(12-18(21)22-3)8-4-5-9-16(20)17-13-15(2)23-19(24-17)10-6-7-11-19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-13(2)10-9-11-15(12-14(3)17)18-19(7,8)16(4,5)6;1-11(15)10-12(8-7-9-14)16-17(5,6)13(2,3)4;1-8(2)5-4-6-10(12)7-9(3)11;1-2/h16,18-20H,5-15H2,1-4H3;14,17H,2,4-13H2,1,3H3;1-15H;10,15H,9,11-12H2,1-8H3;9,12H,7-8,10H2,1-6H3;5H,4,6-7H2,1-3H3;1-2H3/t16-,18?,19-,20-;14-,17-;;15-;12-;;/m11.11../s1
InChIKeyVVMUESRFJJLQGD-SQXBNVBNSA-N
MW1740.53 g/mol
LogP23.63
Rot. Bonds40

About (4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanal;ethane;methyl (3R,8R)-8-acetyloxy-8-[(9R)-7-ethyl-6,10-dioxaspiro[4.5]decan-9-yl]-3-methyloctanoate;methyl (3R)-3-methyl-8-[(7R)-9-methylidene-6,10-dioxaspiro[4.5]decan-7-yl]-8-oxooctanoate;8-methylnon-7-ene-2,4-dione;triphenylphosphane

(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanal;ethane;methyl (3R,8R)-8-acetyloxy-8-[(9R)-7-ethyl-6,10-dioxaspiro[4.5]decan-9-yl]-3-methyloctanoate;methyl (3R)-3-methyl-8-[(7R)-9-methylidene-6,10-dioxaspiro[4.5]decan-7-yl]-8-oxooctanoate;8-methylnon-7-ene-2,4-dione;triphenylphosphane (PubChem CID 161411306) has the molecular formula C100H163O18PSi2 and a molecular weight of 1740.53 g/mol. Its IUPAC name is (4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanal;ethane;methyl (3R,8R)-8-acetyloxy-8-[(9R)-7-ethyl-6,10-dioxaspiro[4.5]decan-9-yl]-3-methyloctanoate;methyl (3R)-3-methyl-8-[(7R)-9-methylidene-6,10-dioxaspiro[4.5]decan-7-yl]-8-oxooctanoate;8-methylnon-7-ene-2,4-dione;triphenylphosphane.

Molecular Properties

Compound Name(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanal;ethane;methyl (3R,8R)-8-acetyloxy-8-[(9R)-7-ethyl-6,10-dioxaspiro[4.5]decan-9-yl]-3-methyloctanoate;methyl (3R)-3-methyl-8-[(7R)-9-methylidene-6,10-dioxaspiro[4.5]decan-7-yl]-8-oxooctanoate;8-methylnon-7-ene-2,4-dione;triphenylphosphane
PubChem CID161411306
Molecular FormulaC100H163O18PSi2
Molecular Weight1740.53 g/mol
Exact Mass1739.11
IUPAC Name(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanal;ethane;methyl (3R,8R)-8-acetyloxy-8-[(9R)-7-ethyl-6,10-dioxaspiro[4.5]decan-9-yl]-3-methyloctanoate;methyl (3R)-3-methyl-8-[(7R)-9-methylidene-6,10-dioxaspiro[4.5]decan-7-yl]-8-oxooctanoate;8-methylnon-7-ene-2,4-dione;triphenylphosphane
SMILESC=C1C[C@H](C(=O)CCCC[C@@H](C)CC(=O)OC)OC2(CCCC2)O1.CC.CC(=O)CC(=O)CCC=C(C)C.CC(=O)C[C@@H](CCC=C(C)C)O[Si](C)(C)C(C)(C)C.CC(=O)C[C@@H](CCC=O)O[Si](C)(C)C(C)(C)C.CCC1C[C@H]([C@@H](CCCC[C@@H](C)CC(=O)OC)OC(C)=O)OC2(CCCC2)O1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H38O6.C19H30O5.C18H15P.C16H32O2Si.C13H26O3Si.C10H16O2.C2H6/c1-5-18-15-20(28-22(27-18)12-8-9-13-22)19(26-17(3)23)11-7-6-10-16(2)14-21(24)25-4;1-14(12-18(21)22-3)8-4-5-9-16(20)17-13-15(2)23-19(24-17)10-6-7-11-19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-13(2)10-9-11-15(12-14(3)17)18-19(7,8)16(4,5)6;1-11(15)10-12(8-7-9-14)16-17(5,6)13(2,3)4;1-8(2)5-4-6-10(12)7-9(3)11;1-2/h16,18-20H,5-15H2,1-4H3;14,17H,2,4-13H2,1,3H3;1-15H;10,15H,9,11-12H2,1-8H3;9,12H,7-8,10H2,1-6H3;5H,4,6-7H2,1-3H3;1-2H3/t16-,18?,19-,20-;14-,17-;;15-;12-;;/m11.11../s1
InChIKeyVVMUESRFJJLQGD-SQXBNVBNSA-N
XLogP23.63
TPSA236.70 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds40
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001740.53
LogP ≤ 523.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanal;ethane;methyl (3R,8R)-8-acetyloxy-8-[(9R)-7-ethyl-6,10-dioxaspiro[4.5]decan-9-yl]-3-methyloctanoate;methyl (3R)-3-methyl-8-[(7R)-9-methylidene-6,10-dioxaspiro[4.5]decan-7-yl]-8-oxooctanoate;8-methylnon-7-ene-2,4-dione;triphenylphosphane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanal;ethane;methyl (3R,8R)-8-acetyloxy-8-[(9R)-7-ethyl-6,10-dioxaspiro[4.5]decan-9-yl]-3-methyloctanoate;methyl (3R)-3-methyl-8-[(7R)-9-methylidene-6,10-dioxaspiro[4.5]decan-7-yl]-8-oxooctanoate;8-methylnon-7-ene-2,4-dione;triphenylphosphane?
The IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanal;ethane;methyl (3R,8R)-8-acetyloxy-8-[(9R)-7-ethyl-6,10-dioxaspiro[4.5]decan-9-yl]-3-methyloctanoate;methyl (3R)-3-methyl-8-[(7R)-9-methylidene-6,10-dioxaspiro[4.5]decan-7-yl]-8-oxooctanoate;8-methylnon-7-ene-2,4-dione;triphenylphosphane (CID 161411306) is (4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanal;ethane;methyl (3R,8R)-8-acetyloxy-8-[(9R)-7-ethyl-6,10-dioxaspiro[4.5]decan-9-yl]-3-methyloctanoate;methyl (3R)-3-methyl-8-[(7R)-9-methylidene-6,10-dioxaspiro[4.5]decan-7-yl]-8-oxooctanoate;8-methylnon-7-ene-2,4-dione;triphenylphosphane.
What is the SMILES notation for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanal;ethane;methyl (3R,8R)-8-acetyloxy-8-[(9R)-7-ethyl-6,10-dioxaspiro[4.5]decan-9-yl]-3-methyloctanoate;methyl (3R)-3-methyl-8-[(7R)-9-methylidene-6,10-dioxaspiro[4.5]decan-7-yl]-8-oxooctanoate;8-methylnon-7-ene-2,4-dione;triphenylphosphane?
The canonical SMILES for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanal;ethane;methyl (3R,8R)-8-acetyloxy-8-[(9R)-7-ethyl-6,10-dioxaspiro[4.5]decan-9-yl]-3-methyloctanoate;methyl (3R)-3-methyl-8-[(7R)-9-methylidene-6,10-dioxaspiro[4.5]decan-7-yl]-8-oxooctanoate;8-methylnon-7-ene-2,4-dione;triphenylphosphane is C=C1C[C@H](C(=O)CCCC[C@@H](C)CC(=O)OC)OC2(CCCC2)O1.CC.CC(=O)CC(=O)CCC=C(C)C.CC(=O)C[C@@H](CCC=C(C)C)O[Si](C)(C)C(C)(C)C.CC(=O)C[C@@H](CCC=O)O[Si](C)(C)C(C)(C)C.CCC1C[C@H]([C@@H](CCCC[C@@H](C)CC(=O)OC)OC(C)=O)OC2(CCCC2)O1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanal;ethane;methyl (3R,8R)-8-acetyloxy-8-[(9R)-7-ethyl-6,10-dioxaspiro[4.5]decan-9-yl]-3-methyloctanoate;methyl (3R)-3-methyl-8-[(7R)-9-methylidene-6,10-dioxaspiro[4.5]decan-7-yl]-8-oxooctanoate;8-methylnon-7-ene-2,4-dione;triphenylphosphane?
The InChIKey is VVMUESRFJJLQGD-SQXBNVBNSA-N. The full InChI is InChI=1S/C22H38O6.C19H30O5.C18H15P.C16H32O2Si.C13H26O3Si.C10H16O2.C2H6/c1-5-18-15-20(28-22(27-18)12-8-9-13-22)19(26-17(3)23)11-7-6-10-16(2)14-21(24)25-4;1-14(12-18(21)22-3)8-4-5-9-16(20)17-13-15(2)23-19(24-17)10-6-7-11-19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-13(2)10-9-11-15(12-14(3)17)18-19(7,8)16(4,5)6;1-11(15)10-12(8-7-9-14)16-17(5,6)13(2,3)4;1-8(2)5-4-6-10(12)7-9(3)11;1-2/h16,18-20H,5-15H2,1-4H3;14,17H,2,4-13H2,1,3H3;1-15H;10,15H,9,11-12H2,1-8H3;9,12H,7-8,10H2,1-6H3;5H,4,6-7H2,1-3H3;1-2H3/t16-,18?,19-,20-;14-,17-;;15-;12-;;/m11.11../s1.
What are the key properties of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanal;ethane;methyl (3R,8R)-8-acetyloxy-8-[(9R)-7-ethyl-6,10-dioxaspiro[4.5]decan-9-yl]-3-methyloctanoate;methyl (3R)-3-methyl-8-[(7R)-9-methylidene-6,10-dioxaspiro[4.5]decan-7-yl]-8-oxooctanoate;8-methylnon-7-ene-2,4-dione;triphenylphosphane?
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanal;ethane;methyl (3R,8R)-8-acetyloxy-8-[(9R)-7-ethyl-6,10-dioxaspiro[4.5]decan-9-yl]-3-methyloctanoate;methyl (3R)-3-methyl-8-[(7R)-9-methylidene-6,10-dioxaspiro[4.5]decan-7-yl]-8-oxooctanoate;8-methylnon-7-ene-2,4-dione;triphenylphosphane has a molecular weight of 1740.53 g/mol, XLogP of 23.63, 40 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxoheptanal;ethane;methyl (3R,8R)-8-acetyloxy-8-[(9R)-7-ethyl-6,10-dioxaspiro[4.5]decan-9-yl]-3-methyloctanoate;methyl (3R)-3-methyl-8-[(7R)-9-methylidene-6,10-dioxaspiro[4.5]decan-7-yl]-8-oxooctanoate;8-methylnon-7-ene-2,4-dione;triphenylphosphane is sourced from PubChem (CID 161411306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).