methyl 2,2-dimethyl-3-trimethylsilyloxydecanoate

C16H34O3Si — CID 11109446

IUPACmethyl 2,2-dimethyl-3-trimethylsilyloxydecanoate
SMILESCCCCCCCC(O[Si](C)(C)C)C(C)(C)C(=O)OC
InChIInChI=1S/C16H34O3Si/c1-8-9-10-11-12-13-14(19-20(5,6)7)16(2,3)15(17)18-4/h14H,8-13H2,1-7H3
InChIKeyIDBAGCMLFXVSNU-UHFFFAOYSA-N
MW302.53 g/mol
LogP4.77
Rot. Bonds10

About methyl 2,2-dimethyl-3-trimethylsilyloxydecanoate

methyl 2,2-dimethyl-3-trimethylsilyloxydecanoate (PubChem CID 11109446) has the molecular formula C16H34O3Si and a molecular weight of 302.53 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-trimethylsilyloxydecanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-trimethylsilyloxydecanoate
PubChem CID11109446
Molecular FormulaC16H34O3Si
Molecular Weight302.53 g/mol
Exact Mass302.23
IUPAC Namemethyl 2,2-dimethyl-3-trimethylsilyloxydecanoate
SMILESCCCCCCCC(O[Si](C)(C)C)C(C)(C)C(=O)OC
InChIInChI=1S/C16H34O3Si/c1-8-9-10-11-12-13-14(19-20(5,6)7)16(2,3)15(17)18-4/h14H,8-13H2,1-7H3
InChIKeyIDBAGCMLFXVSNU-UHFFFAOYSA-N
XLogP4.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 54.77
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 methyl 2,2-dimethyl-3-trimethylsilyloxydecanoate 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 2,2-dimethyl-3-trimethylsilyloxydecanoate?
The IUPAC name of methyl 2,2-dimethyl-3-trimethylsilyloxydecanoate (CID 11109446) is methyl 2,2-dimethyl-3-trimethylsilyloxydecanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-trimethylsilyloxydecanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-trimethylsilyloxydecanoate is CCCCCCCC(O[Si](C)(C)C)C(C)(C)C(=O)OC.
What is the InChIKey of methyl 2,2-dimethyl-3-trimethylsilyloxydecanoate?
The InChIKey is IDBAGCMLFXVSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3Si/c1-8-9-10-11-12-13-14(19-20(5,6)7)16(2,3)15(17)18-4/h14H,8-13H2,1-7H3.
What are the key properties of methyl 2,2-dimethyl-3-trimethylsilyloxydecanoate?
methyl 2,2-dimethyl-3-trimethylsilyloxydecanoate has a molecular weight of 302.53 g/mol, XLogP of 4.77, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-trimethylsilyloxydecanoate is sourced from PubChem (CID 11109446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).