tert-butyl-[(2S)-2,4-dimethylpent-4-enoxy]-diphenylsilane;(3S,4S)-4-methoxy-3,5-dimethylhex-1-ene;(2R,3R,4R)-3-methoxy-4-[(2R,3R)-3-methyl-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-2-ol;(E,2S,6S,7S)-7-methoxy-2,4,6,8-tetramethylnon-4-enal;methyl 2-[(2R,5S,6S)-5-methyl-6-[(2E)-penta-2,4-dien-2-yl]oxan-2-yl]acetate

C74H124O10Si — CID 158941084

IUPACtert-butyl-[(2S)-2,4-dimethylpent-4-enoxy]-diphenylsilane;(3S,4S)-4-methoxy-3,5-dimethylhex-1-ene;(2R,3R,4R)-3-methoxy-4-[(2R,3R)-3-methyl-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-2-ol;(E,2S,6S,7S)-7-methoxy-2,4,6,8-tetramethylnon-4-enal;methyl 2-[(2R,5S,6S)-5-methyl-6-[(2E)-penta-2,4-dien-2-yl]oxan-2-yl]acetate
SMILESC=C(C)C[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.C=C/C=C(\C)[C@H]1O[C@@H](CC(=O)OC)CC[C@@H]1C.C=C[C@@H](C)C[C@@]1(C)O[C@@H]1[C@H](C)[C@@H](OC)[C@@H](C)O.C=C[C@H](C)[C@@H](OC)C(C)C.CO[C@@H](C(C)C)[C@@H](C)/C=C(\C)C[C@H](C)C=O
InChIInChI=1S/C23H32OSi.C14H26O3.C14H22O3.C14H26O2.C9H18O/c1-19(2)17-20(3)18-24-25(23(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22;1-7-9(2)8-14(5)13(17-14)10(3)12(16-6)11(4)15;1-5-6-10(2)14-11(3)7-8-12(17-14)9-13(15)16-4;1-10(2)14(16-6)13(5)8-11(3)7-12(4)9-15;1-6-8(4)9(10-5)7(2)3/h7-16,20H,1,17-18H2,2-6H3;7,9-13,15H,1,8H2,2-6H3;5-6,11-12,14H,1,7-9H2,2-4H3;8-10,12-14H,7H2,1-6H3;6-9H,1H2,2-5H3/b;;10-6+;11-8+;/t20-;9-,10-,11-,12-,13-,14-;11-,12+,14+;12-,13-,14-;8-,9-/m01000/s1
InChIKeyJKGHTPZBZXNRCI-SYGOFGROSA-N
MW1201.88 g/mol
LogP16.36
Rot. Bonds29

About tert-butyl-[(2S)-2,4-dimethylpent-4-enoxy]-diphenylsilane;(3S,4S)-4-methoxy-3,5-dimethylhex-1-ene;(2R,3R,4R)-3-methoxy-4-[(2R,3R)-3-methyl-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-2-ol;(E,2S,6S,7S)-7-methoxy-2,4,6,8-tetramethylnon-4-enal;methyl 2-[(2R,5S,6S)-5-methyl-6-[(2E)-penta-2,4-dien-2-yl]oxan-2-yl]acetate

tert-butyl-[(2S)-2,4-dimethylpent-4-enoxy]-diphenylsilane;(3S,4S)-4-methoxy-3,5-dimethylhex-1-ene;(2R,3R,4R)-3-methoxy-4-[(2R,3R)-3-methyl-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-2-ol;(E,2S,6S,7S)-7-methoxy-2,4,6,8-tetramethylnon-4-enal;methyl 2-[(2R,5S,6S)-5-methyl-6-[(2E)-penta-2,4-dien-2-yl]oxan-2-yl]acetate (PubChem CID 158941084) has the molecular formula C74H124O10Si and a molecular weight of 1201.88 g/mol. Its IUPAC name is tert-butyl-[(2S)-2,4-dimethylpent-4-enoxy]-diphenylsilane;(3S,4S)-4-methoxy-3,5-dimethylhex-1-ene;(2R,3R,4R)-3-methoxy-4-[(2R,3R)-3-methyl-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-2-ol;(E,2S,6S,7S)-7-methoxy-2,4,6,8-tetramethylnon-4-enal;methyl 2-[(2R,5S,6S)-5-methyl-6-[(2E)-penta-2,4-dien-2-yl]oxan-2-yl]acetate.

Molecular Properties

Compound Nametert-butyl-[(2S)-2,4-dimethylpent-4-enoxy]-diphenylsilane;(3S,4S)-4-methoxy-3,5-dimethylhex-1-ene;(2R,3R,4R)-3-methoxy-4-[(2R,3R)-3-methyl-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-2-ol;(E,2S,6S,7S)-7-methoxy-2,4,6,8-tetramethylnon-4-enal;methyl 2-[(2R,5S,6S)-5-methyl-6-[(2E)-penta-2,4-dien-2-yl]oxan-2-yl]acetate
PubChem CID158941084
Molecular FormulaC74H124O10Si
Molecular Weight1201.88 g/mol
Exact Mass1200.90
IUPAC Nametert-butyl-[(2S)-2,4-dimethylpent-4-enoxy]-diphenylsilane;(3S,4S)-4-methoxy-3,5-dimethylhex-1-ene;(2R,3R,4R)-3-methoxy-4-[(2R,3R)-3-methyl-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-2-ol;(E,2S,6S,7S)-7-methoxy-2,4,6,8-tetramethylnon-4-enal;methyl 2-[(2R,5S,6S)-5-methyl-6-[(2E)-penta-2,4-dien-2-yl]oxan-2-yl]acetate
SMILESC=C(C)C[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.C=C/C=C(\C)[C@H]1O[C@@H](CC(=O)OC)CC[C@@H]1C.C=C[C@@H](C)C[C@@]1(C)O[C@@H]1[C@H](C)[C@@H](OC)[C@@H](C)O.C=C[C@H](C)[C@@H](OC)C(C)C.CO[C@@H](C(C)C)[C@@H](C)/C=C(\C)C[C@H](C)C=O
InChIInChI=1S/C23H32OSi.C14H26O3.C14H22O3.C14H26O2.C9H18O/c1-19(2)17-20(3)18-24-25(23(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22;1-7-9(2)8-14(5)13(17-14)10(3)12(16-6)11(4)15;1-5-6-10(2)14-11(3)7-8-12(17-14)9-13(15)16-4;1-10(2)14(16-6)13(5)8-11(3)7-12(4)9-15;1-6-8(4)9(10-5)7(2)3/h7-16,20H,1,17-18H2,2-6H3;7,9-13,15H,1,8H2,2-6H3;5-6,11-12,14H,1,7-9H2,2-4H3;8-10,12-14H,7H2,1-6H3;6-9H,1H2,2-5H3/b;;10-6+;11-8+;/t20-;9-,10-,11-,12-,13-,14-;11-,12+,14+;12-,13-,14-;8-,9-/m01000/s1
InChIKeyJKGHTPZBZXNRCI-SYGOFGROSA-N
XLogP16.36
TPSA122.28 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds29
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001201.88
LogP ≤ 516.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze tert-butyl-[(2S)-2,4-dimethylpent-4-enoxy]-diphenylsilane;(3S,4S)-4-methoxy-3,5-dimethylhex-1-ene;(2R,3R,4R)-3-methoxy-4-[(2R,3R)-3-methyl-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-2-ol;(E,2S,6S,7S)-7-methoxy-2,4,6,8-tetramethylnon-4-enal;methyl 2-[(2R,5S,6S)-5-methyl-6-[(2E)-penta-2,4-dien-2-yl]oxan-2-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-[(2R,5S,6S)-6-[(2E,4E,6S,8E,10S,11R,12S)-12-[tert-butyl(diphenyl)silyl]oxy-11-methoxy-6,8,10-trimethyltrideca-2,4,8-trien-2-yl]-5-methyloxan-2-yl]acetate
CID 134940435
2-[(2R,5S,6S)-6-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3R,4R)-4-hydroxy-3-methoxypentan-2-yl]-2-methyloxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-4,5-dimethyloxan-2-yl]acetic acid
CID 174148053
(E,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylhept-4-enoic acid
CID 16726667
[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102238795
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095
(Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylhept-4-en-1-ol
CID 134980373
tert-butyl-[(4S)-4,6-dimethylhept-6-enoxy]-diphenylsilane
CID 160977016
(2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentanal
CID 11574459
methyl (2R)-2-[(1R,2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methylpropyl]-2-methylpent-4-enoate
CID 11396886
tert-butyl-[(2S,3R,4S,5E,8S,9E)-10-iodo-3-methoxy-4,6,8-trimethyldeca-5,9-dien-2-yl]oxy-diphenylsilane
CID 16756481
tert-butyl-[(E,2R)-2,4-dimethyl-8-[(2S)-oxiran-2-yl]oct-4-enoxy]-diphenylsilane
CID 135079027
methyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-4-methylpentanoate
CID 11553115

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S)-2,4-dimethylpent-4-enoxy]-diphenylsilane;(3S,4S)-4-methoxy-3,5-dimethylhex-1-ene;(2R,3R,4R)-3-methoxy-4-[(2R,3R)-3-methyl-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-2-ol;(E,2S,6S,7S)-7-methoxy-2,4,6,8-tetramethylnon-4-enal;methyl 2-[(2R,5S,6S)-5-methyl-6-[(2E)-penta-2,4-dien-2-yl]oxan-2-yl]acetate?
The IUPAC name of tert-butyl-[(2S)-2,4-dimethylpent-4-enoxy]-diphenylsilane;(3S,4S)-4-methoxy-3,5-dimethylhex-1-ene;(2R,3R,4R)-3-methoxy-4-[(2R,3R)-3-methyl-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-2-ol;(E,2S,6S,7S)-7-methoxy-2,4,6,8-tetramethylnon-4-enal;methyl 2-[(2R,5S,6S)-5-methyl-6-[(2E)-penta-2,4-dien-2-yl]oxan-2-yl]acetate (CID 158941084) is tert-butyl-[(2S)-2,4-dimethylpent-4-enoxy]-diphenylsilane;(3S,4S)-4-methoxy-3,5-dimethylhex-1-ene;(2R,3R,4R)-3-methoxy-4-[(2R,3R)-3-methyl-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-2-ol;(E,2S,6S,7S)-7-methoxy-2,4,6,8-tetramethylnon-4-enal;methyl 2-[(2R,5S,6S)-5-methyl-6-[(2E)-penta-2,4-dien-2-yl]oxan-2-yl]acetate.
What is the SMILES notation for tert-butyl-[(2S)-2,4-dimethylpent-4-enoxy]-diphenylsilane;(3S,4S)-4-methoxy-3,5-dimethylhex-1-ene;(2R,3R,4R)-3-methoxy-4-[(2R,3R)-3-methyl-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-2-ol;(E,2S,6S,7S)-7-methoxy-2,4,6,8-tetramethylnon-4-enal;methyl 2-[(2R,5S,6S)-5-methyl-6-[(2E)-penta-2,4-dien-2-yl]oxan-2-yl]acetate?
The canonical SMILES for tert-butyl-[(2S)-2,4-dimethylpent-4-enoxy]-diphenylsilane;(3S,4S)-4-methoxy-3,5-dimethylhex-1-ene;(2R,3R,4R)-3-methoxy-4-[(2R,3R)-3-methyl-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-2-ol;(E,2S,6S,7S)-7-methoxy-2,4,6,8-tetramethylnon-4-enal;methyl 2-[(2R,5S,6S)-5-methyl-6-[(2E)-penta-2,4-dien-2-yl]oxan-2-yl]acetate is C=C(C)C[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.C=C/C=C(\C)[C@H]1O[C@@H](CC(=O)OC)CC[C@@H]1C.C=C[C@@H](C)C[C@@]1(C)O[C@@H]1[C@H](C)[C@@H](OC)[C@@H](C)O.C=C[C@H](C)[C@@H](OC)C(C)C.CO[C@@H](C(C)C)[C@@H](C)/C=C(\C)C[C@H](C)C=O.
What is the InChIKey of tert-butyl-[(2S)-2,4-dimethylpent-4-enoxy]-diphenylsilane;(3S,4S)-4-methoxy-3,5-dimethylhex-1-ene;(2R,3R,4R)-3-methoxy-4-[(2R,3R)-3-methyl-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-2-ol;(E,2S,6S,7S)-7-methoxy-2,4,6,8-tetramethylnon-4-enal;methyl 2-[(2R,5S,6S)-5-methyl-6-[(2E)-penta-2,4-dien-2-yl]oxan-2-yl]acetate?
The InChIKey is JKGHTPZBZXNRCI-SYGOFGROSA-N. The full InChI is InChI=1S/C23H32OSi.C14H26O3.C14H22O3.C14H26O2.C9H18O/c1-19(2)17-20(3)18-24-25(23(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22;1-7-9(2)8-14(5)13(17-14)10(3)12(16-6)11(4)15;1-5-6-10(2)14-11(3)7-8-12(17-14)9-13(15)16-4;1-10(2)14(16-6)13(5)8-11(3)7-12(4)9-15;1-6-8(4)9(10-5)7(2)3/h7-16,20H,1,17-18H2,2-6H3;7,9-13,15H,1,8H2,2-6H3;5-6,11-12,14H,1,7-9H2,2-4H3;8-10,12-14H,7H2,1-6H3;6-9H,1H2,2-5H3/b;;10-6+;11-8+;/t20-;9-,10-,11-,12-,13-,14-;11-,12+,14+;12-,13-,14-;8-,9-/m01000/s1.
What are the key properties of tert-butyl-[(2S)-2,4-dimethylpent-4-enoxy]-diphenylsilane;(3S,4S)-4-methoxy-3,5-dimethylhex-1-ene;(2R,3R,4R)-3-methoxy-4-[(2R,3R)-3-methyl-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-2-ol;(E,2S,6S,7S)-7-methoxy-2,4,6,8-tetramethylnon-4-enal;methyl 2-[(2R,5S,6S)-5-methyl-6-[(2E)-penta-2,4-dien-2-yl]oxan-2-yl]acetate?
tert-butyl-[(2S)-2,4-dimethylpent-4-enoxy]-diphenylsilane;(3S,4S)-4-methoxy-3,5-dimethylhex-1-ene;(2R,3R,4R)-3-methoxy-4-[(2R,3R)-3-methyl-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-2-ol;(E,2S,6S,7S)-7-methoxy-2,4,6,8-tetramethylnon-4-enal;methyl 2-[(2R,5S,6S)-5-methyl-6-[(2E)-penta-2,4-dien-2-yl]oxan-2-yl]acetate has a molecular weight of 1201.88 g/mol, XLogP of 16.36, 29 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-2,4-dimethylpent-4-enoxy]-diphenylsilane;(3S,4S)-4-methoxy-3,5-dimethylhex-1-ene;(2R,3R,4R)-3-methoxy-4-[(2R,3R)-3-methyl-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-2-ol;(E,2S,6S,7S)-7-methoxy-2,4,6,8-tetramethylnon-4-enal;methyl 2-[(2R,5S,6S)-5-methyl-6-[(2E)-penta-2,4-dien-2-yl]oxan-2-yl]acetate is sourced from PubChem (CID 158941084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).