methyl 9-[tert-butyl(dimethyl)silyl]oxy-10-oxodecanoate

C17H34O4Si — CID 11843719

IUPACmethyl 9-[tert-butyl(dimethyl)silyl]oxy-10-oxodecanoate
SMILESCOC(=O)CCCCCCCC(C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-17(2,3)22(5,6)21-15(14-18)12-10-8-7-9-11-13-16(19)20-4/h14-15H,7-13H2,1-6H3
InChIKeyFYTRUZVBSALGBR-UHFFFAOYSA-N
MW330.54 g/mol
LogP4.48
Rot. Bonds11

About methyl 9-[tert-butyl(dimethyl)silyl]oxy-10-oxodecanoate

methyl 9-[tert-butyl(dimethyl)silyl]oxy-10-oxodecanoate (PubChem CID 11843719) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is methyl 9-[tert-butyl(dimethyl)silyl]oxy-10-oxodecanoate.

Molecular Properties

Compound Namemethyl 9-[tert-butyl(dimethyl)silyl]oxy-10-oxodecanoate
PubChem CID11843719
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Namemethyl 9-[tert-butyl(dimethyl)silyl]oxy-10-oxodecanoate
SMILESCOC(=O)CCCCCCCC(C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-17(2,3)22(5,6)21-15(14-18)12-10-8-7-9-11-13-16(19)20-4/h14-15H,7-13H2,1-6H3
InChIKeyFYTRUZVBSALGBR-UHFFFAOYSA-N
XLogP4.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 9-[tert-butyl(dimethyl)silyl]oxy-10-oxodecanoate with MolForge

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

Launch Full Analysis

Related Compounds

methyl (E,5R)-7-bromo-5-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate
CID 89058029
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate
CID 15202310
2-[tert-butyl(dimethyl)silyl]oxytridecanal
CID 170917454
methyl (E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-7-enoate
CID 168934245
methyl 10-[tert-butyl(dimethyl)silyl]oxyheptadecanoate
CID 526836
methyl 16-[tert-butyl(dimethyl)silyl]oxynonadecanoate
CID 526817
methyl 12-[tert-butyl(dimethyl)silyl]oxynonadecanoate
CID 526837
(2S)-2-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 10490533
methyl (5S,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-7-oxoheptanoate
CID 14463532
methyl (E,9S)-9-[tert-butyl(dimethyl)silyl]oxy-11-(2-ethyl-3-oxocyclopenten-1-yl)undec-10-enoate
CID 56958097
methyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-7-tributylstannylhept-6-enoate
CID 57407910
methyl (9R,12Z,15Z)-9-[tert-butyl(dimethyl)silyl]oxy-10-hydroxyoctadeca-12,15-dienoate
CID 11453494

Frequently Asked Questions

What is the IUPAC name of methyl 9-[tert-butyl(dimethyl)silyl]oxy-10-oxodecanoate?
The IUPAC name of methyl 9-[tert-butyl(dimethyl)silyl]oxy-10-oxodecanoate (CID 11843719) is methyl 9-[tert-butyl(dimethyl)silyl]oxy-10-oxodecanoate.
What is the SMILES notation for methyl 9-[tert-butyl(dimethyl)silyl]oxy-10-oxodecanoate?
The canonical SMILES for methyl 9-[tert-butyl(dimethyl)silyl]oxy-10-oxodecanoate is COC(=O)CCCCCCCC(C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 9-[tert-butyl(dimethyl)silyl]oxy-10-oxodecanoate?
The InChIKey is FYTRUZVBSALGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-17(2,3)22(5,6)21-15(14-18)12-10-8-7-9-11-13-16(19)20-4/h14-15H,7-13H2,1-6H3.
What are the key properties of methyl 9-[tert-butyl(dimethyl)silyl]oxy-10-oxodecanoate?
methyl 9-[tert-butyl(dimethyl)silyl]oxy-10-oxodecanoate has a molecular weight of 330.54 g/mol, XLogP of 4.48, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-[tert-butyl(dimethyl)silyl]oxy-10-oxodecanoate is sourced from PubChem (CID 11843719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).