(4R,6S,7R,8S,10R)-7-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethoxy-4,10-dimethyl-2,3-dioxo-11-tri(propan-2-yl)silyloxyundecanoic acid

C30H60O8Si2 — CID 22855821

About (4R,6S,7R,8S,10R)-7-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethoxy-4,10-dimethyl-2,3-dioxo-11-tri(propan-2-yl)silyloxyundecanoic acid

(4R,6S,7R,8S,10R)-7-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethoxy-4,10-dimethyl-2,3-dioxo-11-tri(propan-2-yl)silyloxyundecanoic acid (PubChem CID 22855821) has the molecular formula C30H60O8Si2 and a molecular weight of 604.97 g/mol. Its IUPAC name is (4R,6S,7R,8S,10R)-7-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethoxy-4,10-dimethyl-2,3-dioxo-11-tri(propan-2-yl)silyloxyundecanoic acid.

Molecular Properties

• Compound Name: (4R,6S,7R,8S,10R)-7-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethoxy-4,10-dimethyl-2,3-dioxo-11-tri(propan-2-yl)silyloxyundecanoic acid
• PubChem CID: 22855821
• Molecular Formula: C30H60O8Si2
• Molecular Weight: 604.97 g/mol
• Exact Mass: 604.38
• IUPAC Name: (4R,6S,7R,8S,10R)-7-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethoxy-4,10-dimethyl-2,3-dioxo-11-tri(propan-2-yl)silyloxyundecanoic acid
• SMILES: CO[C@@H](C[C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C[C@@H](C)C(=O)C(=O)C(=O)O)OC
• InChI: InChI=1S/C30H60O8Si2/c1-19(2)40(20(3)4,21(5)6)37-18-22(7)16-24(35-12)28(38-39(14,15)30(9,10)11)25(36-13)17-23(8)26(31)27(32)29(33)34/h19-25,28H,16-18H2,1-15H3,(H,33,34)/t22-,23-,24+,25+,28-/m1/s1
• InChIKey: JLVPINLWQDGYMI-DTQWAIELSA-N
• XLogP: 6.87
• TPSA: 108.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 19
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.97
LogP ≤ 5	6.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R,6S,7R,8S,10R)-7-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethoxy-4,10-dimethyl-2,3-dioxo-11-tri(propan-2-yl)silyloxyundecanoic acid?

The IUPAC name of (4R,6S,7R,8S,10R)-7-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethoxy-4,10-dimethyl-2,3-dioxo-11-tri(propan-2-yl)silyloxyundecanoic acid (CID 22855821) is (4R,6S,7R,8S,10R)-7-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethoxy-4,10-dimethyl-2,3-dioxo-11-tri(propan-2-yl)silyloxyundecanoic acid.

What is the SMILES notation for (4R,6S,7R,8S,10R)-7-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethoxy-4,10-dimethyl-2,3-dioxo-11-tri(propan-2-yl)silyloxyundecanoic acid?

The canonical SMILES for (4R,6S,7R,8S,10R)-7-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethoxy-4,10-dimethyl-2,3-dioxo-11-tri(propan-2-yl)silyloxyundecanoic acid is CO[C@@H](C[C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C[C@@H](C)C(=O)C(=O)C(=O)O)OC.

What is the InChIKey of (4R,6S,7R,8S,10R)-7-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethoxy-4,10-dimethyl-2,3-dioxo-11-tri(propan-2-yl)silyloxyundecanoic acid?

The InChIKey is JLVPINLWQDGYMI-DTQWAIELSA-N. The full InChI is InChI=1S/C30H60O8Si2/c1-19(2)40(20(3)4,21(5)6)37-18-22(7)16-24(35-12)28(38-39(14,15)30(9,10)11)25(36-13)17-23(8)26(31)27(32)29(33)34/h19-25,28H,16-18H2,1-15H3,(H,33,34)/t22-,23-,24+,25+,28-/m1/s1.

What are the key properties of (4R,6S,7R,8S,10R)-7-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethoxy-4,10-dimethyl-2,3-dioxo-11-tri(propan-2-yl)silyloxyundecanoic acid?

(4R,6S,7R,8S,10R)-7-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethoxy-4,10-dimethyl-2,3-dioxo-11-tri(propan-2-yl)silyloxyundecanoic acid has a molecular weight of 604.97 g/mol, XLogP of 6.87, 19 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,6S,7R,8S,10R)-7-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethoxy-4,10-dimethyl-2,3-dioxo-11-tri(propan-2-yl)silyloxyundecanoic acid is sourced from PubChem (CID 22855821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).