methyl 2,2-dimethoxy-3-trimethylsilyloxybutanoate

C10H22O5Si — CID 15211449

IUPACmethyl 2,2-dimethoxy-3-trimethylsilyloxybutanoate
SMILESCOC(=O)C(OC)(OC)C(C)O[Si](C)(C)C
InChIInChI=1S/C10H22O5Si/c1-8(15-16(5,6)7)10(13-3,14-4)9(11)12-2/h8H,1-7H3
InChIKeyLWAFJVKYERKDSW-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.39
Rot. Bonds6

About methyl 2,2-dimethoxy-3-trimethylsilyloxybutanoate

methyl 2,2-dimethoxy-3-trimethylsilyloxybutanoate (PubChem CID 15211449) has the molecular formula C10H22O5Si and a molecular weight of 250.37 g/mol. Its IUPAC name is methyl 2,2-dimethoxy-3-trimethylsilyloxybutanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethoxy-3-trimethylsilyloxybutanoate
PubChem CID15211449
Molecular FormulaC10H22O5Si
Molecular Weight250.37 g/mol
Exact Mass250.12
IUPAC Namemethyl 2,2-dimethoxy-3-trimethylsilyloxybutanoate
SMILESCOC(=O)C(OC)(OC)C(C)O[Si](C)(C)C
InChIInChI=1S/C10H22O5Si/c1-8(15-16(5,6)7)10(13-3,14-4)9(11)12-2/h8H,1-7H3
InChIKeyLWAFJVKYERKDSW-UHFFFAOYSA-N
XLogP1.39
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze methyl 2,2-dimethoxy-3-trimethylsilyloxybutanoate 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-dimethoxy-3-trimethylsilyloxybutanoate?
The IUPAC name of methyl 2,2-dimethoxy-3-trimethylsilyloxybutanoate (CID 15211449) is methyl 2,2-dimethoxy-3-trimethylsilyloxybutanoate.
What is the SMILES notation for methyl 2,2-dimethoxy-3-trimethylsilyloxybutanoate?
The canonical SMILES for methyl 2,2-dimethoxy-3-trimethylsilyloxybutanoate is COC(=O)C(OC)(OC)C(C)O[Si](C)(C)C.
What is the InChIKey of methyl 2,2-dimethoxy-3-trimethylsilyloxybutanoate?
The InChIKey is LWAFJVKYERKDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O5Si/c1-8(15-16(5,6)7)10(13-3,14-4)9(11)12-2/h8H,1-7H3.
What are the key properties of methyl 2,2-dimethoxy-3-trimethylsilyloxybutanoate?
methyl 2,2-dimethoxy-3-trimethylsilyloxybutanoate has a molecular weight of 250.37 g/mol, XLogP of 1.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethoxy-3-trimethylsilyloxybutanoate is sourced from PubChem (CID 15211449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).