5-O-tert-butyl 1-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate

C16H32O5Si — CID 87206661

IUPAC5-O-tert-butyl 1-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate
SMILESCOC(=O)C[C@H](CC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O5Si/c1-15(2,3)20-14(18)11-12(10-13(17)19-7)21-22(8,9)16(4,5)6/h12H,10-11H2,1-9H3/t12-/m1/s1
InChIKeyYXZRSPKQEBXFRW-GFCCVEGCSA-N
MW332.51 g/mol
LogP3.67
Rot. Bonds6

About 5-O-tert-butyl 1-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate

5-O-tert-butyl 1-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate (PubChem CID 87206661) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is 5-O-tert-butyl 1-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate.

Molecular Properties

Compound Name5-O-tert-butyl 1-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate
PubChem CID87206661
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Name5-O-tert-butyl 1-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate
SMILESCOC(=O)C[C@H](CC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O5Si/c1-15(2,3)20-14(18)11-12(10-13(17)19-7)21-22(8,9)16(4,5)6/h12H,10-11H2,1-9H3/t12-/m1/s1
InChIKeyYXZRSPKQEBXFRW-GFCCVEGCSA-N
XLogP3.67
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-O-tert-butyl 1-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate?
The IUPAC name of 5-O-tert-butyl 1-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate (CID 87206661) is 5-O-tert-butyl 1-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate.
What is the SMILES notation for 5-O-tert-butyl 1-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate?
The canonical SMILES for 5-O-tert-butyl 1-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate is COC(=O)C[C@H](CC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 5-O-tert-butyl 1-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate?
The InChIKey is YXZRSPKQEBXFRW-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-15(2,3)20-14(18)11-12(10-13(17)19-7)21-22(8,9)16(4,5)6/h12H,10-11H2,1-9H3/t12-/m1/s1.
What are the key properties of 5-O-tert-butyl 1-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate?
5-O-tert-butyl 1-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate has a molecular weight of 332.51 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-tert-butyl 1-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate is sourced from PubChem (CID 87206661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).