(2S,3S,4R,7S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4-methoxyphenyl)methoxy]-2,4,6,6-tetramethylnonan-5-one;2-trimethylsilylethyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxodecanoate;2-trimethylsilylethyl (E,3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxo-10-tributylstannyldec-9-enoate;2-trimethylsilylethyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxoundec-9-ynoate

C139H282O20Si11Sn — CID 159537782

About (2S,3S,4R,7S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4-methoxyphenyl)methoxy]-2,4,6,6-tetramethylnonan-5-one;2-trimethylsilylethyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxodecanoate;2-trimethylsilylethyl (E,3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxo-10-tributylstannyldec-9-enoate;2-trimethylsilylethyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxoundec-9-ynoate

(2S,3S,4R,7S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4-methoxyphenyl)methoxy]-2,4,6,6-tetramethylnonan-5-one;2-trimethylsilylethyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxodecanoate;2-trimethylsilylethyl (E,3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxo-10-tributylstannyldec-9-enoate;2-trimethylsilylethyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxoundec-9-ynoate (PubChem CID 159537782) has the molecular formula C139H282O20Si11Sn and a molecular weight of 2701.42 g/mol. Its IUPAC name is (2S,3S,4R,7S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4-methoxyphenyl)methoxy]-2,4,6,6-tetramethylnonan-5-one;2-trimethylsilylethyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxodecanoate;2-trimethylsilylethyl (E,3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxo-10-tributylstannyldec-9-enoate;2-trimethylsilylethyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxoundec-9-ynoate.

Molecular Properties

• Compound Name: (2S,3S,4R,7S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4-methoxyphenyl)methoxy]-2,4,6,6-tetramethylnonan-5-one;2-trimethylsilylethyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxodecanoate;2-trimethylsilylethyl (E,3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxo-10-tributylstannyldec-9-enoate;2-trimethylsilylethyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxoundec-9-ynoate
• PubChem CID: 159537782
• Molecular Formula: C139H282O20Si11Sn
• Molecular Weight: 2701.42 g/mol
• Exact Mass: 2699.75
• IUPAC Name: (2S,3S,4R,7S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4-methoxyphenyl)methoxy]-2,4,6,6-tetramethylnonan-5-one;2-trimethylsilylethyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxodecanoate;2-trimethylsilylethyl (E,3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxo-10-tributylstannyldec-9-enoate;2-trimethylsilylethyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxoundec-9-ynoate
• SMILES: CC#C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)C(C)(C)[C@H](CC(=O)OCC[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.CCCC[Sn](/C=C/[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)C(C)(C)[C@H](CC(=O)OCC[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC.CC[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)C(C)(C)[C@H](CC(=O)OCC[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)COCc1ccc(OC)cc1
• InChI: InChI=1S/C33H62O5Si2.C32H64O5Si3.C31H66O5Si3.C31H63O5Si3.3C4H9.Sn/c1-17-28(37-39(13,14)31(4,5)6)33(10,11)30(34)25(3)29(38-40(15,16)32(7,8)9)24(2)22-36-23-26-18-20-27(35-12)21-19-26;1-19-20-24(2)28(37-40(17,18)31(7,8)9)25(3)29(34)32(10,11)26(36-39(15,16)30(4,5)6)23-27(33)35-21-22-38(12,13)14;2*1-19-23(2)27(36-39(17,18)30(7,8)9)24(3)28(33)31(10,11)25(35-38(15,16)29(4,5)6)22-26(32)34-20-21-37(12,13)14;3*1-3-4-2;/h18-21,24-25,28-29H,17,22-23H2,1-16H3;24-26,28H,21-23H2,1-18H3;23-25,27H,19-22H2,1-18H3;1,19,23-25,27H,20-22H2,2-18H3;3*1,3-4H2,2H3;/t24-,25+,28-,29-;24-,25+,26-,28-;2*23-,24+,25-,27-;;;;/m0000..../s1
• InChIKey: MDUUUYXQYWJATA-CJFVOUOFSA-N
• XLogP: 41.37
• TPSA: 239.48 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 69
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2701.42
LogP ≤ 5	41.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,7S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4-methoxyphenyl)methoxy]-2,4,6,6-tetramethylnonan-5-one;2-trimethylsilylethyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxodecanoate;2-trimethylsilylethyl (E,3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxo-10-tributylstannyldec-9-enoate;2-trimethylsilylethyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxoundec-9-ynoate?

The IUPAC name of (2S,3S,4R,7S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4-methoxyphenyl)methoxy]-2,4,6,6-tetramethylnonan-5-one;2-trimethylsilylethyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxodecanoate;2-trimethylsilylethyl (E,3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxo-10-tributylstannyldec-9-enoate;2-trimethylsilylethyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxoundec-9-ynoate (CID 159537782) is (2S,3S,4R,7S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4-methoxyphenyl)methoxy]-2,4,6,6-tetramethylnonan-5-one;2-trimethylsilylethyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxodecanoate;2-trimethylsilylethyl (E,3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxo-10-tributylstannyldec-9-enoate;2-trimethylsilylethyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxoundec-9-ynoate.

What is the SMILES notation for (2S,3S,4R,7S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4-methoxyphenyl)methoxy]-2,4,6,6-tetramethylnonan-5-one;2-trimethylsilylethyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxodecanoate;2-trimethylsilylethyl (E,3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxo-10-tributylstannyldec-9-enoate;2-trimethylsilylethyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxoundec-9-ynoate?

The canonical SMILES for (2S,3S,4R,7S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4-methoxyphenyl)methoxy]-2,4,6,6-tetramethylnonan-5-one;2-trimethylsilylethyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxodecanoate;2-trimethylsilylethyl (E,3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxo-10-tributylstannyldec-9-enoate;2-trimethylsilylethyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxoundec-9-ynoate is CC#C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)C(C)(C)[C@H](CC(=O)OCC[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.CCCC[Sn](/C=C/[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)C(C)(C)[C@H](CC(=O)OCC[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC.CC[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)C(C)(C)[C@H](CC(=O)OCC[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)COCc1ccc(OC)cc1.

What is the InChIKey of (2S,3S,4R,7S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4-methoxyphenyl)methoxy]-2,4,6,6-tetramethylnonan-5-one;2-trimethylsilylethyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxodecanoate;2-trimethylsilylethyl (E,3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxo-10-tributylstannyldec-9-enoate;2-trimethylsilylethyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxoundec-9-ynoate?

The InChIKey is MDUUUYXQYWJATA-CJFVOUOFSA-N. The full InChI is InChI=1S/C33H62O5Si2.C32H64O5Si3.C31H66O5Si3.C31H63O5Si3.3C4H9.Sn/c1-17-28(37-39(13,14)31(4,5)6)33(10,11)30(34)25(3)29(38-40(15,16)32(7,8)9)24(2)22-36-23-26-18-20-27(35-12)21-19-26;1-19-20-24(2)28(37-40(17,18)31(7,8)9)25(3)29(34)32(10,11)26(36-39(15,16)30(4,5)6)23-27(33)35-21-22-38(12,13)14;2*1-19-23(2)27(36-39(17,18)30(7,8)9)24(3)28(33)31(10,11)25(35-38(15,16)29(4,5)6)22-26(32)34-20-21-37(12,13)14;3*1-3-4-2;/h18-21,24-25,28-29H,17,22-23H2,1-16H3;24-26,28H,21-23H2,1-18H3;23-25,27H,19-22H2,1-18H3;1,19,23-25,27H,20-22H2,2-18H3;3*1,3-4H2,2H3;/t24-,25+,28-,29-;24-,25+,26-,28-;2*23-,24+,25-,27-;;;;/m0000..../s1.

What are the key properties of (2S,3S,4R,7S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4-methoxyphenyl)methoxy]-2,4,6,6-tetramethylnonan-5-one;2-trimethylsilylethyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxodecanoate;2-trimethylsilylethyl (E,3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxo-10-tributylstannyldec-9-enoate;2-trimethylsilylethyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxoundec-9-ynoate?

(2S,3S,4R,7S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4-methoxyphenyl)methoxy]-2,4,6,6-tetramethylnonan-5-one;2-trimethylsilylethyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxodecanoate;2-trimethylsilylethyl (E,3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxo-10-tributylstannyldec-9-enoate;2-trimethylsilylethyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxoundec-9-ynoate has a molecular weight of 2701.42 g/mol, XLogP of 41.37, 69 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,4R,7S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4-methoxyphenyl)methoxy]-2,4,6,6-tetramethylnonan-5-one;2-trimethylsilylethyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxodecanoate;2-trimethylsilylethyl (E,3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxo-10-tributylstannyldec-9-enoate;2-trimethylsilylethyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxoundec-9-ynoate is sourced from PubChem (CID 159537782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).