10-[tert-butyl(dimethyl)silyl]oxydecan-2-yl acetate

C18H38O3Si — CID 134979976

IUPAC10-[tert-butyl(dimethyl)silyl]oxydecan-2-yl acetate
SMILESCC(=O)OC(C)CCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O3Si/c1-16(21-17(2)19)14-12-10-8-9-11-13-15-20-22(6,7)18(3,4)5/h16H,8-15H2,1-7H3
InChIKeyAUXWHEKJEFMHDR-UHFFFAOYSA-N
MW330.59 g/mol
LogP5.69
Rot. Bonds11

About 10-[tert-butyl(dimethyl)silyl]oxydecan-2-yl acetate

10-[tert-butyl(dimethyl)silyl]oxydecan-2-yl acetate (PubChem CID 134979976) has the molecular formula C18H38O3Si and a molecular weight of 330.59 g/mol. Its IUPAC name is 10-[tert-butyl(dimethyl)silyl]oxydecan-2-yl acetate.

Molecular Properties

Compound Name10-[tert-butyl(dimethyl)silyl]oxydecan-2-yl acetate
PubChem CID134979976
Molecular FormulaC18H38O3Si
Molecular Weight330.59 g/mol
Exact Mass330.26
IUPAC Name10-[tert-butyl(dimethyl)silyl]oxydecan-2-yl acetate
SMILESCC(=O)OC(C)CCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O3Si/c1-16(21-17(2)19)14-12-10-8-9-11-13-15-20-22(6,7)18(3,4)5/h16H,8-15H2,1-7H3
InChIKeyAUXWHEKJEFMHDR-UHFFFAOYSA-N
XLogP5.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.59
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 10-[tert-butyl(dimethyl)silyl]oxydecan-2-yl acetate 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 10-[tert-butyl(dimethyl)silyl]oxydecan-2-yl acetate?
The IUPAC name of 10-[tert-butyl(dimethyl)silyl]oxydecan-2-yl acetate (CID 134979976) is 10-[tert-butyl(dimethyl)silyl]oxydecan-2-yl acetate.
What is the SMILES notation for 10-[tert-butyl(dimethyl)silyl]oxydecan-2-yl acetate?
The canonical SMILES for 10-[tert-butyl(dimethyl)silyl]oxydecan-2-yl acetate is CC(=O)OC(C)CCCCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 10-[tert-butyl(dimethyl)silyl]oxydecan-2-yl acetate?
The InChIKey is AUXWHEKJEFMHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O3Si/c1-16(21-17(2)19)14-12-10-8-9-11-13-15-20-22(6,7)18(3,4)5/h16H,8-15H2,1-7H3.
What are the key properties of 10-[tert-butyl(dimethyl)silyl]oxydecan-2-yl acetate?
10-[tert-butyl(dimethyl)silyl]oxydecan-2-yl acetate has a molecular weight of 330.59 g/mol, XLogP of 5.69, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[tert-butyl(dimethyl)silyl]oxydecan-2-yl acetate is sourced from PubChem (CID 134979976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).