1-O-methyl 5-O-trimethylsilyl 2,2-dimethylpentanedioate

C11H22O4Si — CID 552321

IUPAC1-O-methyl 5-O-trimethylsilyl 2,2-dimethylpentanedioate
SMILESCOC(=O)C(C)(C)CCC(=O)O[Si](C)(C)C
InChIInChI=1S/C11H22O4Si/c1-11(2,10(13)14-3)8-7-9(12)15-16(4,5)6/h7-8H2,1-6H3
InChIKeySOHQKHHTPKNBIV-UHFFFAOYSA-N
MW246.38 g/mol
LogP2.34
Rot. Bonds5

About 1-O-methyl 5-O-trimethylsilyl 2,2-dimethylpentanedioate

1-O-methyl 5-O-trimethylsilyl 2,2-dimethylpentanedioate (PubChem CID 552321) has the molecular formula C11H22O4Si and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-O-methyl 5-O-trimethylsilyl 2,2-dimethylpentanedioate.

Molecular Properties

Compound Name1-O-methyl 5-O-trimethylsilyl 2,2-dimethylpentanedioate
PubChem CID552321
Molecular FormulaC11H22O4Si
Molecular Weight246.38 g/mol
Exact Mass246.13
IUPAC Name1-O-methyl 5-O-trimethylsilyl 2,2-dimethylpentanedioate
SMILESCOC(=O)C(C)(C)CCC(=O)O[Si](C)(C)C
InChIInChI=1S/C11H22O4Si/c1-11(2,10(13)14-3)8-7-9(12)15-16(4,5)6/h7-8H2,1-6H3
InChIKeySOHQKHHTPKNBIV-UHFFFAOYSA-N
XLogP2.34
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-O-methyl 5-O-trimethylsilyl 2,2-dimethylpentanedioate 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

1,5-Dimethyl 2,2-dimethylpentanedioate
CID 83083
Dimethyl 2,2,4-trimethylglutarate
CID 11424214
Bis(trimethylsilyl) 3,3-dimethylpentanedioate
CID 521694
Monomethyl glutarate, TMS derivative
CID 91733295
Glutaric acid, tert-butyldimethylsilyl ester
CID 91733296
2,2-Dimethylglutaric acid, TBDMS
CID 91752558
Pentanedioic acid, 2,2,3-trimethyl-, bis(trimethylsilyl) ester
CID 552453
5-O-ethyl 1-O-methyl 2-methyl-2-trimethylsilylpentanedioate
CID 14569496
Dimethyl 2,2,4,4-tetramethylpentanedioate
CID 13635021
1-O-methyl 5-O-(trimethoxysilylmethyl) 2-ethyl-2,4,4-trimethylpentanedioate
CID 20643559
1-O-methyl 5-O-(3-trimethylsilylprop-2-ynyl) 2,2,4,4-tetramethylpentanedioate
CID 58193638
CID 59893545
CID 59893545

Frequently Asked Questions

What is the IUPAC name of 1-O-methyl 5-O-trimethylsilyl 2,2-dimethylpentanedioate?
The IUPAC name of 1-O-methyl 5-O-trimethylsilyl 2,2-dimethylpentanedioate (CID 552321) is 1-O-methyl 5-O-trimethylsilyl 2,2-dimethylpentanedioate.
What is the SMILES notation for 1-O-methyl 5-O-trimethylsilyl 2,2-dimethylpentanedioate?
The canonical SMILES for 1-O-methyl 5-O-trimethylsilyl 2,2-dimethylpentanedioate is COC(=O)C(C)(C)CCC(=O)O[Si](C)(C)C.
What is the InChIKey of 1-O-methyl 5-O-trimethylsilyl 2,2-dimethylpentanedioate?
The InChIKey is SOHQKHHTPKNBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4Si/c1-11(2,10(13)14-3)8-7-9(12)15-16(4,5)6/h7-8H2,1-6H3.
What are the key properties of 1-O-methyl 5-O-trimethylsilyl 2,2-dimethylpentanedioate?
1-O-methyl 5-O-trimethylsilyl 2,2-dimethylpentanedioate has a molecular weight of 246.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-methyl 5-O-trimethylsilyl 2,2-dimethylpentanedioate is sourced from PubChem (CID 552321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).