3-[tert-butyl(diphenyl)silyl]oxy-5-(2,3,4-trimethoxyphenyl)pentanoic acid;ethyl 3-[tert-butyl(diphenyl)silyl]oxy-5-(2,3,4-trimethoxyphenyl)pentanoate

C62H80O12Si2 — CID 160785231

About 3-[tert-butyl(diphenyl)silyl]oxy-5-(2,3,4-trimethoxyphenyl)pentanoic acid;ethyl 3-[tert-butyl(diphenyl)silyl]oxy-5-(2,3,4-trimethoxyphenyl)pentanoate

3-[tert-butyl(diphenyl)silyl]oxy-5-(2,3,4-trimethoxyphenyl)pentanoic acid;ethyl 3-[tert-butyl(diphenyl)silyl]oxy-5-(2,3,4-trimethoxyphenyl)pentanoate (PubChem CID 160785231) has the molecular formula C62H80O12Si2 and a molecular weight of 1073.48 g/mol. Its IUPAC name is 3-[tert-butyl(diphenyl)silyl]oxy-5-(2,3,4-trimethoxyphenyl)pentanoic acid;ethyl 3-[tert-butyl(diphenyl)silyl]oxy-5-(2,3,4-trimethoxyphenyl)pentanoate.

Molecular Properties

• Compound Name: 3-[tert-butyl(diphenyl)silyl]oxy-5-(2,3,4-trimethoxyphenyl)pentanoic acid;ethyl 3-[tert-butyl(diphenyl)silyl]oxy-5-(2,3,4-trimethoxyphenyl)pentanoate
• PubChem CID: 160785231
• Molecular Formula: C62H80O12Si2
• Molecular Weight: 1073.48 g/mol
• Exact Mass: 1072.52
• IUPAC Name: 3-[tert-butyl(diphenyl)silyl]oxy-5-(2,3,4-trimethoxyphenyl)pentanoic acid;ethyl 3-[tert-butyl(diphenyl)silyl]oxy-5-(2,3,4-trimethoxyphenyl)pentanoate
• SMILES: CCOC(=O)CC(CCc1ccc(OC)c(OC)c1OC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.COc1ccc(CCC(CC(=O)O)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c(OC)c1OC
• InChI: InChI=1S/C32H42O6Si.C30H38O6Si/c1-8-37-29(33)23-25(21-19-24-20-22-28(34-5)31(36-7)30(24)35-6)38-39(32(2,3)4,26-15-11-9-12-16-26)27-17-13-10-14-18-27;1-30(2,3)37(24-13-9-7-10-14-24,25-15-11-8-12-16-25)36-23(21-27(31)32)19-17-22-18-20-26(33-4)29(35-6)28(22)34-5/h9-18,20,22,25H,8,19,21,23H2,1-7H3;7-16,18,20,23H,17,19,21H2,1-6H3,(H,31,32)
• InChIKey: SBCPENPGMANNLF-UHFFFAOYSA-N
• XLogP: 10.61
• TPSA: 137.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 25
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1073.48
LogP ≤ 5	10.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxy-5-(2,3,4-trimethoxyphenyl)pentanoic acid;ethyl 3-[tert-butyl(diphenyl)silyl]oxy-5-(2,3,4-trimethoxyphenyl)pentanoate?

The IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxy-5-(2,3,4-trimethoxyphenyl)pentanoic acid;ethyl 3-[tert-butyl(diphenyl)silyl]oxy-5-(2,3,4-trimethoxyphenyl)pentanoate (CID 160785231) is 3-[tert-butyl(diphenyl)silyl]oxy-5-(2,3,4-trimethoxyphenyl)pentanoic acid;ethyl 3-[tert-butyl(diphenyl)silyl]oxy-5-(2,3,4-trimethoxyphenyl)pentanoate.

What is the SMILES notation for 3-[tert-butyl(diphenyl)silyl]oxy-5-(2,3,4-trimethoxyphenyl)pentanoic acid;ethyl 3-[tert-butyl(diphenyl)silyl]oxy-5-(2,3,4-trimethoxyphenyl)pentanoate?

The canonical SMILES for 3-[tert-butyl(diphenyl)silyl]oxy-5-(2,3,4-trimethoxyphenyl)pentanoic acid;ethyl 3-[tert-butyl(diphenyl)silyl]oxy-5-(2,3,4-trimethoxyphenyl)pentanoate is CCOC(=O)CC(CCc1ccc(OC)c(OC)c1OC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.COc1ccc(CCC(CC(=O)O)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c(OC)c1OC.

What is the InChIKey of 3-[tert-butyl(diphenyl)silyl]oxy-5-(2,3,4-trimethoxyphenyl)pentanoic acid;ethyl 3-[tert-butyl(diphenyl)silyl]oxy-5-(2,3,4-trimethoxyphenyl)pentanoate?

The InChIKey is SBCPENPGMANNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42O6Si.C30H38O6Si/c1-8-37-29(33)23-25(21-19-24-20-22-28(34-5)31(36-7)30(24)35-6)38-39(32(2,3)4,26-15-11-9-12-16-26)27-17-13-10-14-18-27;1-30(2,3)37(24-13-9-7-10-14-24,25-15-11-8-12-16-25)36-23(21-27(31)32)19-17-22-18-20-26(33-4)29(35-6)28(22)34-5/h9-18,20,22,25H,8,19,21,23H2,1-7H3;7-16,18,20,23H,17,19,21H2,1-6H3,(H,31,32).

What are the key properties of 3-[tert-butyl(diphenyl)silyl]oxy-5-(2,3,4-trimethoxyphenyl)pentanoic acid;ethyl 3-[tert-butyl(diphenyl)silyl]oxy-5-(2,3,4-trimethoxyphenyl)pentanoate?

3-[tert-butyl(diphenyl)silyl]oxy-5-(2,3,4-trimethoxyphenyl)pentanoic acid;ethyl 3-[tert-butyl(diphenyl)silyl]oxy-5-(2,3,4-trimethoxyphenyl)pentanoate has a molecular weight of 1073.48 g/mol, XLogP of 10.61, 25 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[tert-butyl(diphenyl)silyl]oxy-5-(2,3,4-trimethoxyphenyl)pentanoic acid;ethyl 3-[tert-butyl(diphenyl)silyl]oxy-5-(2,3,4-trimethoxyphenyl)pentanoate is sourced from PubChem (CID 160785231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).