ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-7-oxodec-9-enoate

C20H38O4Si — CID 11603139

IUPACethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-7-oxodec-9-enoate
SMILESC=CCC(=O)CCC[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C(=O)OCC
InChIInChI=1S/C20H38O4Si/c1-10-13-16(21)14-12-15-17(20(6,7)18(22)23-11-2)24-25(8,9)19(3,4)5/h10,17H,1,11-15H2,2-9H3/t17-/m1/s1
InChIKeyUNDKDTXWPKZAPG-QGZVFWFLSA-N
MW370.61 g/mol
LogP5.28
Rot. Bonds11

About ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-7-oxodec-9-enoate

ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-7-oxodec-9-enoate (PubChem CID 11603139) has the molecular formula C20H38O4Si and a molecular weight of 370.61 g/mol. Its IUPAC name is ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-7-oxodec-9-enoate.

Molecular Properties

Compound Nameethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-7-oxodec-9-enoate
PubChem CID11603139
Molecular FormulaC20H38O4Si
Molecular Weight370.61 g/mol
Exact Mass370.25
IUPAC Nameethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-7-oxodec-9-enoate
SMILESC=CCC(=O)CCC[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C(=O)OCC
InChIInChI=1S/C20H38O4Si/c1-10-13-16(21)14-12-15-17(20(6,7)18(22)23-11-2)24-25(8,9)19(3,4)5/h10,17H,1,11-15H2,2-9H3/t17-/m1/s1
InChIKeyUNDKDTXWPKZAPG-QGZVFWFLSA-N
XLogP5.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.61
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-7-oxodec-9-enoate 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 ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-7-oxodec-9-enoate?
The IUPAC name of ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-7-oxodec-9-enoate (CID 11603139) is ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-7-oxodec-9-enoate.
What is the SMILES notation for ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-7-oxodec-9-enoate?
The canonical SMILES for ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-7-oxodec-9-enoate is C=CCC(=O)CCC[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C(=O)OCC.
What is the InChIKey of ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-7-oxodec-9-enoate?
The InChIKey is UNDKDTXWPKZAPG-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H38O4Si/c1-10-13-16(21)14-12-15-17(20(6,7)18(22)23-11-2)24-25(8,9)19(3,4)5/h10,17H,1,11-15H2,2-9H3/t17-/m1/s1.
What are the key properties of ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-7-oxodec-9-enoate?
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-7-oxodec-9-enoate has a molecular weight of 370.61 g/mol, XLogP of 5.28, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-7-oxodec-9-enoate is sourced from PubChem (CID 11603139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).