(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

C64H128O10Si5 — CID 90914201

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

(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 (PubChem CID 90914201) has the molecular formula C64H128O10Si5 and a molecular weight of 1198.15 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.

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
• PubChem CID: 90914201
• Molecular Formula: C64H128O10Si5
• Molecular Weight: 1198.15 g/mol
• Exact Mass: 1196.84
• 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
• SMILES: 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.C31H66O5Si3/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;1-19-23(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/h18-21,24-25,28-29H,17,22-23H2,1-16H3;23-25,27H,19-22H2,1-18H3/t24-,25+,28-,29-;23-,24+,25-,27-/m00/s1
• InChIKey: HIIDZOUTGLRJNS-CTGULCQMSA-N
• XLogP: 18.59
• TPSA: 115.82 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 30
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1198.15
LogP ≤ 5	18.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', '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?

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 (CID 90914201) 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.

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?

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 is 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?

The InChIKey is HIIDZOUTGLRJNS-CTGULCQMSA-N. The full InChI is InChI=1S/C33H62O5Si2.C31H66O5Si3/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;1-19-23(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/h18-21,24-25,28-29H,17,22-23H2,1-16H3;23-25,27H,19-22H2,1-18H3/t24-,25+,28-,29-;23-,24+,25-,27-/m00/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?

(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 has a molecular weight of 1198.15 g/mol, XLogP of 18.59, 30 rotatable bonds, 0 hydrogen bond donors, and 10 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 is sourced from PubChem (CID 90914201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).