bis(dimethylsilyl) pentanedioate

C9H20O4Si2 — CID 173080734

IUPACbis(dimethylsilyl) pentanedioate
SMILESC[SiH](C)OC(=O)CCCC(=O)O[SiH](C)C
InChIInChI=1S/C9H20O4Si2/c1-14(2)12-8(10)6-5-7-9(11)13-15(3)4/h14-15H,5-7H2,1-4H3
InChIKeyVWKTZNYRSFFMQA-UHFFFAOYSA-N
MW248.43 g/mol
LogP1.21
Rot. Bonds6

About bis(dimethylsilyl) pentanedioate

bis(dimethylsilyl) pentanedioate (PubChem CID 173080734) has the molecular formula C9H20O4Si2 and a molecular weight of 248.43 g/mol. Its IUPAC name is bis(dimethylsilyl) pentanedioate.

Molecular Properties

Compound Namebis(dimethylsilyl) pentanedioate
PubChem CID173080734
Molecular FormulaC9H20O4Si2
Molecular Weight248.43 g/mol
Exact Mass248.09
IUPAC Namebis(dimethylsilyl) pentanedioate
SMILESC[SiH](C)OC(=O)CCCC(=O)O[SiH](C)C
InChIInChI=1S/C9H20O4Si2/c1-14(2)12-8(10)6-5-7-9(11)13-15(3)4/h14-15H,5-7H2,1-4H3
InChIKeyVWKTZNYRSFFMQA-UHFFFAOYSA-N
XLogP1.21
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.43
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(dimethylsilyl) pentanedioate 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

dimethylsilyl 2-methoxyacetate
CID 154197714
dimethyl pentanedioate;hydrochloride
CID 175168861
di(propan-2-yl)silyl 4-hydroxybutanoate
CID 123209842
bis(prop-1-enyl) pentanedioate
CID 91189308
diformyl pentanedioate
CID 57199083
diethylsilyl hexadecanoate
CID 173160220
ditert-butyl pentanedioate
CID 3016405
ethyl 4-dimethylsilylbutanoate
CID 154502277
bis(hydroxymethyl) pentanedioate
CID 56975769
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl dotriacontanedioate
CID 14325565

Frequently Asked Questions

What is the IUPAC name of bis(dimethylsilyl) pentanedioate?
The IUPAC name of bis(dimethylsilyl) pentanedioate (CID 173080734) is bis(dimethylsilyl) pentanedioate.
What is the SMILES notation for bis(dimethylsilyl) pentanedioate?
The canonical SMILES for bis(dimethylsilyl) pentanedioate is C[SiH](C)OC(=O)CCCC(=O)O[SiH](C)C.
What is the InChIKey of bis(dimethylsilyl) pentanedioate?
The InChIKey is VWKTZNYRSFFMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4Si2/c1-14(2)12-8(10)6-5-7-9(11)13-15(3)4/h14-15H,5-7H2,1-4H3.
What are the key properties of bis(dimethylsilyl) pentanedioate?
bis(dimethylsilyl) pentanedioate has a molecular weight of 248.43 g/mol, XLogP of 1.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethylsilyl) pentanedioate is sourced from PubChem (CID 173080734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).