methyl (1R,2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloropropan-2-yl)-2-methylcyclopentane-1-carboxylate

C17H33ClO3Si — CID 10948058

IUPACmethyl (1R,2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloropropan-2-yl)-2-methylcyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(C)(C)Cl
InChIInChI=1S/C17H33ClO3Si/c1-11-13(21-22(8,9)16(2,3)4)10-12(17(5,6)18)14(11)15(19)20-7/h11-14H,10H2,1-9H3/t11-,12+,13+,14+/m0/s1
InChIKeyOAKUIYVBAYFYNN-REWJHTLYSA-N
MW348.99 g/mol
LogP4.84
Rot. Bonds4

About methyl (1R,2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloropropan-2-yl)-2-methylcyclopentane-1-carboxylate

methyl (1R,2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloropropan-2-yl)-2-methylcyclopentane-1-carboxylate (PubChem CID 10948058) has the molecular formula C17H33ClO3Si and a molecular weight of 348.99 g/mol. Its IUPAC name is methyl (1R,2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloropropan-2-yl)-2-methylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloropropan-2-yl)-2-methylcyclopentane-1-carboxylate
PubChem CID10948058
Molecular FormulaC17H33ClO3Si
Molecular Weight348.99 g/mol
Exact Mass348.19
IUPAC Namemethyl (1R,2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloropropan-2-yl)-2-methylcyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(C)(C)Cl
InChIInChI=1S/C17H33ClO3Si/c1-11-13(21-22(8,9)16(2,3)4)10-12(17(5,6)18)14(11)15(19)20-7/h11-14H,10H2,1-9H3/t11-,12+,13+,14+/m0/s1
InChIKeyOAKUIYVBAYFYNN-REWJHTLYSA-N
XLogP4.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.99
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (1R,2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloropropan-2-yl)-2-methylcyclopentane-1-carboxylate 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 methyl (1R,2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloropropan-2-yl)-2-methylcyclopentane-1-carboxylate?
The IUPAC name of methyl (1R,2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloropropan-2-yl)-2-methylcyclopentane-1-carboxylate (CID 10948058) is methyl (1R,2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloropropan-2-yl)-2-methylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1R,2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloropropan-2-yl)-2-methylcyclopentane-1-carboxylate?
The canonical SMILES for methyl (1R,2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloropropan-2-yl)-2-methylcyclopentane-1-carboxylate is COC(=O)[C@@H]1[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(C)(C)Cl.
What is the InChIKey of methyl (1R,2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloropropan-2-yl)-2-methylcyclopentane-1-carboxylate?
The InChIKey is OAKUIYVBAYFYNN-REWJHTLYSA-N. The full InChI is InChI=1S/C17H33ClO3Si/c1-11-13(21-22(8,9)16(2,3)4)10-12(17(5,6)18)14(11)15(19)20-7/h11-14H,10H2,1-9H3/t11-,12+,13+,14+/m0/s1.
What are the key properties of methyl (1R,2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloropropan-2-yl)-2-methylcyclopentane-1-carboxylate?
methyl (1R,2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloropropan-2-yl)-2-methylcyclopentane-1-carboxylate has a molecular weight of 348.99 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloropropan-2-yl)-2-methylcyclopentane-1-carboxylate is sourced from PubChem (CID 10948058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).