5-O-tert-butyl 1-O-(2-ethoxyethyl) 2,4-dimethyl-4-[[(4R)-4-methyl-2,5-dioxooxolan-3-yl]methyl]-2-[2-[(4R)-4-methyl-2,5-dioxooxolan-3-yl]-3-trimethylsilylpropyl]pentanedioate

C32H52O11Si — CID 59089636

IUPAC5-O-tert-butyl 1-O-(2-ethoxyethyl) 2,4-dimethyl-4-[[(4R)-4-methyl-2,5-dioxooxolan-3-yl]methyl]-2-[2-[(4R)-4-methyl-2,5-dioxooxolan-3-yl]-3-trimethylsilylpropyl]pentanedioate
SMILESCCOCCOC(=O)C(C)(CC(C[Si](C)(C)C)C1C(=O)OC(=O)[C@@H]1C)CC(C)(CC1C(=O)OC(=O)[C@@H]1C)C(=O)OC(C)(C)C
InChIInChI=1S/C32H52O11Si/c1-12-39-13-14-40-28(37)31(7,15-21(17-44(9,10)11)23-20(3)25(34)42-27(23)36)18-32(8,29(38)43-30(4,5)6)16-22-19(2)24(33)41-26(22)35/h19-23H,12-18H2,1-11H3/t19-,20-,21?,22?,23?,31?,32?/m1/s1
InChIKeyNSBFUKIKUUMSIJ-WQUFBGCRSA-N
MW640.84 g/mol
LogP4.72
Rot. Bonds15

About 5-O-tert-butyl 1-O-(2-ethoxyethyl) 2,4-dimethyl-4-[[(4R)-4-methyl-2,5-dioxooxolan-3-yl]methyl]-2-[2-[(4R)-4-methyl-2,5-dioxooxolan-3-yl]-3-trimethylsilylpropyl]pentanedioate

5-O-tert-butyl 1-O-(2-ethoxyethyl) 2,4-dimethyl-4-[[(4R)-4-methyl-2,5-dioxooxolan-3-yl]methyl]-2-[2-[(4R)-4-methyl-2,5-dioxooxolan-3-yl]-3-trimethylsilylpropyl]pentanedioate (PubChem CID 59089636) has the molecular formula C32H52O11Si and a molecular weight of 640.84 g/mol. Its IUPAC name is 5-O-tert-butyl 1-O-(2-ethoxyethyl) 2,4-dimethyl-4-[[(4R)-4-methyl-2,5-dioxooxolan-3-yl]methyl]-2-[2-[(4R)-4-methyl-2,5-dioxooxolan-3-yl]-3-trimethylsilylpropyl]pentanedioate.

Molecular Properties

Compound Name5-O-tert-butyl 1-O-(2-ethoxyethyl) 2,4-dimethyl-4-[[(4R)-4-methyl-2,5-dioxooxolan-3-yl]methyl]-2-[2-[(4R)-4-methyl-2,5-dioxooxolan-3-yl]-3-trimethylsilylpropyl]pentanedioate
PubChem CID59089636
Molecular FormulaC32H52O11Si
Molecular Weight640.84 g/mol
Exact Mass640.33
IUPAC Name5-O-tert-butyl 1-O-(2-ethoxyethyl) 2,4-dimethyl-4-[[(4R)-4-methyl-2,5-dioxooxolan-3-yl]methyl]-2-[2-[(4R)-4-methyl-2,5-dioxooxolan-3-yl]-3-trimethylsilylpropyl]pentanedioate
SMILESCCOCCOC(=O)C(C)(CC(C[Si](C)(C)C)C1C(=O)OC(=O)[C@@H]1C)CC(C)(CC1C(=O)OC(=O)[C@@H]1C)C(=O)OC(C)(C)C
InChIInChI=1S/C32H52O11Si/c1-12-39-13-14-40-28(37)31(7,15-21(17-44(9,10)11)23-20(3)25(34)42-27(23)36)18-32(8,29(38)43-30(4,5)6)16-22-19(2)24(33)41-26(22)35/h19-23H,12-18H2,1-11H3/t19-,20-,21?,22?,23?,31?,32?/m1/s1
InChIKeyNSBFUKIKUUMSIJ-WQUFBGCRSA-N
XLogP4.72
TPSA148.57 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.84
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-O-tert-butyl 1-O-(2-ethoxyethyl) 2,4-dimethyl-4-[[(4R)-4-methyl-2,5-dioxooxolan-3-yl]methyl]-2-[2-[(4R)-4-methyl-2,5-dioxooxolan-3-yl]-3-trimethylsilylpropyl]pentanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methoxycarbonyl-2,4,6,6-tetramethyl-2-[(4-methyl-2,5-dioxooxolan-3-yl)methyl]-7-[2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl]oxy-7-oxoheptanoic acid
CID 18684369
2-Methoxyethyl 4-[[2,5-dioxo-4-(1-trimethylsilylbutan-2-yl)oxolan-3-yl]methyl]-5-hydroperoxy-2,6,6-trimethylheptanoate
CID 20580298
1,3-Bis(trimethylsilyl)propan-2-yl 2,2-dimethyl-3-[4-(3-methyloxolan-2-yl)-2,5-dioxooxolan-3-yl]propanoate
CID 20754308
1,3-Bis(trimethylsilyl)propan-2-yl 3-[4-(2,3-dimethyloxolan-2-yl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate
CID 20754311
[3-[4-[2,2-Dimethyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]-2,2-dimethylpropyl] 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate
CID 20822615
[3-[4-[2,2-Dimethyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]-2-methylpropyl] 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate
CID 20822620
[2,2-Dimethyl-3-[4-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]propyl] 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate
CID 20822625
[2-Methyl-3-[4-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]propyl] 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate
CID 20822626
[3-Methyl-4-[4-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]butyl] 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate
CID 20822627
5-O-tert-butyl 1-O-methyl 4-[[2,5-dioxo-4-[2-[2-(2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carbonyl)oxyethoxy]propyl]oxolan-3-yl]methyl]-2,2-dimethylpentanedioate
CID 20822633
2-[1-Methoxy-4,4-dimethyl-1,5-dioxo-5-[3-tris(trimethylsilyloxy)silylpropoxy]pentan-2-yl]-5-methyl-5-[(4-methyl-2,5-dioxooxolan-3-yl)methyl]-6-[(2-methylpropan-2-yl)oxy]-6-oxo-3-[tris(trimethylsilyloxy)silylmethyl]hexanoic acid
CID 23405275
1-O-tert-butyl 5-O-(5-oxooxolan-3-yl) 4-methyl-2-[[4-(2-methyl-3-trimethylsilylpropyl)-2,5-dioxooxolan-3-yl]methyl]pentanedioate
CID 59061000

Frequently Asked Questions

What is the IUPAC name of 5-O-tert-butyl 1-O-(2-ethoxyethyl) 2,4-dimethyl-4-[[(4R)-4-methyl-2,5-dioxooxolan-3-yl]methyl]-2-[2-[(4R)-4-methyl-2,5-dioxooxolan-3-yl]-3-trimethylsilylpropyl]pentanedioate?
The IUPAC name of 5-O-tert-butyl 1-O-(2-ethoxyethyl) 2,4-dimethyl-4-[[(4R)-4-methyl-2,5-dioxooxolan-3-yl]methyl]-2-[2-[(4R)-4-methyl-2,5-dioxooxolan-3-yl]-3-trimethylsilylpropyl]pentanedioate (CID 59089636) is 5-O-tert-butyl 1-O-(2-ethoxyethyl) 2,4-dimethyl-4-[[(4R)-4-methyl-2,5-dioxooxolan-3-yl]methyl]-2-[2-[(4R)-4-methyl-2,5-dioxooxolan-3-yl]-3-trimethylsilylpropyl]pentanedioate.
What is the SMILES notation for 5-O-tert-butyl 1-O-(2-ethoxyethyl) 2,4-dimethyl-4-[[(4R)-4-methyl-2,5-dioxooxolan-3-yl]methyl]-2-[2-[(4R)-4-methyl-2,5-dioxooxolan-3-yl]-3-trimethylsilylpropyl]pentanedioate?
The canonical SMILES for 5-O-tert-butyl 1-O-(2-ethoxyethyl) 2,4-dimethyl-4-[[(4R)-4-methyl-2,5-dioxooxolan-3-yl]methyl]-2-[2-[(4R)-4-methyl-2,5-dioxooxolan-3-yl]-3-trimethylsilylpropyl]pentanedioate is CCOCCOC(=O)C(C)(CC(C[Si](C)(C)C)C1C(=O)OC(=O)[C@@H]1C)CC(C)(CC1C(=O)OC(=O)[C@@H]1C)C(=O)OC(C)(C)C.
What is the InChIKey of 5-O-tert-butyl 1-O-(2-ethoxyethyl) 2,4-dimethyl-4-[[(4R)-4-methyl-2,5-dioxooxolan-3-yl]methyl]-2-[2-[(4R)-4-methyl-2,5-dioxooxolan-3-yl]-3-trimethylsilylpropyl]pentanedioate?
The InChIKey is NSBFUKIKUUMSIJ-WQUFBGCRSA-N. The full InChI is InChI=1S/C32H52O11Si/c1-12-39-13-14-40-28(37)31(7,15-21(17-44(9,10)11)23-20(3)25(34)42-27(23)36)18-32(8,29(38)43-30(4,5)6)16-22-19(2)24(33)41-26(22)35/h19-23H,12-18H2,1-11H3/t19-,20-,21?,22?,23?,31?,32?/m1/s1.
What are the key properties of 5-O-tert-butyl 1-O-(2-ethoxyethyl) 2,4-dimethyl-4-[[(4R)-4-methyl-2,5-dioxooxolan-3-yl]methyl]-2-[2-[(4R)-4-methyl-2,5-dioxooxolan-3-yl]-3-trimethylsilylpropyl]pentanedioate?
5-O-tert-butyl 1-O-(2-ethoxyethyl) 2,4-dimethyl-4-[[(4R)-4-methyl-2,5-dioxooxolan-3-yl]methyl]-2-[2-[(4R)-4-methyl-2,5-dioxooxolan-3-yl]-3-trimethylsilylpropyl]pentanedioate has a molecular weight of 640.84 g/mol, XLogP of 4.72, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-tert-butyl 1-O-(2-ethoxyethyl) 2,4-dimethyl-4-[[(4R)-4-methyl-2,5-dioxooxolan-3-yl]methyl]-2-[2-[(4R)-4-methyl-2,5-dioxooxolan-3-yl]-3-trimethylsilylpropyl]pentanedioate is sourced from PubChem (CID 59089636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).