methyl (6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-oxooctanoate

C16H32O4Si — CID 11012553

IUPACmethyl (6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-oxooctanoate
SMILESCOC(=O)CC(=O)CC[C@H](C)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O4Si/c1-12(9-10-14(17)11-15(18)19-6)13(2)20-21(7,8)16(3,4)5/h12-13H,9-11H2,1-8H3/t12-,13+/m0/s1
InChIKeyUMVSGGQGPLTIOD-QWHCGFSZSA-N
MW316.51 g/mol
LogP3.95
Rot. Bonds8

About methyl (6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-oxooctanoate

methyl (6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-oxooctanoate (PubChem CID 11012553) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is methyl (6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-oxooctanoate.

Molecular Properties

Compound Namemethyl (6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-oxooctanoate
PubChem CID11012553
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Namemethyl (6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-oxooctanoate
SMILESCOC(=O)CC(=O)CC[C@H](C)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O4Si/c1-12(9-10-14(17)11-15(18)19-6)13(2)20-21(7,8)16(3,4)5/h12-13H,9-11H2,1-8H3/t12-,13+/m0/s1
InChIKeyUMVSGGQGPLTIOD-QWHCGFSZSA-N
XLogP3.95
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-oxooctanoate 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 (6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-oxooctanoate?
The IUPAC name of methyl (6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-oxooctanoate (CID 11012553) is methyl (6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-oxooctanoate.
What is the SMILES notation for methyl (6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-oxooctanoate?
The canonical SMILES for methyl (6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-oxooctanoate is COC(=O)CC(=O)CC[C@H](C)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-oxooctanoate?
The InChIKey is UMVSGGQGPLTIOD-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-12(9-10-14(17)11-15(18)19-6)13(2)20-21(7,8)16(3,4)5/h12-13H,9-11H2,1-8H3/t12-,13+/m0/s1.
What are the key properties of methyl (6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-oxooctanoate?
methyl (6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-oxooctanoate has a molecular weight of 316.51 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-oxooctanoate is sourced from PubChem (CID 11012553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).