propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dimethylphenyl)propanoate

C20H34O3Si — CID 58567240

IUPACpropan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dimethylphenyl)propanoate
SMILESCc1cc(C)cc([C@@H](CC(=O)OC(C)C)O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C20H34O3Si/c1-14(2)22-19(21)13-18(23-24(8,9)20(5,6)7)17-11-15(3)10-16(4)12-17/h10-12,14,18H,13H2,1-9H3/t18-/m1/s1
InChIKeySDBZEFAVFVWQQQ-GOSISDBHSA-N
MW350.58 g/mol
LogP5.71
Rot. Bonds6

About propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dimethylphenyl)propanoate

propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dimethylphenyl)propanoate (PubChem CID 58567240) has the molecular formula C20H34O3Si and a molecular weight of 350.58 g/mol. Its IUPAC name is propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dimethylphenyl)propanoate.

Molecular Properties

Compound Namepropan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dimethylphenyl)propanoate
PubChem CID58567240
Molecular FormulaC20H34O3Si
Molecular Weight350.58 g/mol
Exact Mass350.23
IUPAC Namepropan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dimethylphenyl)propanoate
SMILESCc1cc(C)cc([C@@H](CC(=O)OC(C)C)O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C20H34O3Si/c1-14(2)22-19(21)13-18(23-24(8,9)20(5,6)7)17-11-15(3)10-16(4)12-17/h10-12,14,18H,13H2,1-9H3/t18-/m1/s1
InChIKeySDBZEFAVFVWQQQ-GOSISDBHSA-N
XLogP5.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.58
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dimethylphenyl)propanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dimethylphenyl)propanoate?
The IUPAC name of propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dimethylphenyl)propanoate (CID 58567240) is propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dimethylphenyl)propanoate.
What is the SMILES notation for propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dimethylphenyl)propanoate?
The canonical SMILES for propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dimethylphenyl)propanoate is Cc1cc(C)cc([C@@H](CC(=O)OC(C)C)O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dimethylphenyl)propanoate?
The InChIKey is SDBZEFAVFVWQQQ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H34O3Si/c1-14(2)22-19(21)13-18(23-24(8,9)20(5,6)7)17-11-15(3)10-16(4)12-17/h10-12,14,18H,13H2,1-9H3/t18-/m1/s1.
What are the key properties of propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dimethylphenyl)propanoate?
propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dimethylphenyl)propanoate has a molecular weight of 350.58 g/mol, XLogP of 5.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dimethylphenyl)propanoate is sourced from PubChem (CID 58567240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).