2,2-diethyl-3-trimethylsilylbutanedioic acid

C11H22O4Si — CID 154203266

IUPAC2,2-diethyl-3-trimethylsilylbutanedioic acid
SMILESCCC(CC)(C(=O)O)C(C(=O)O)[Si](C)(C)C
InChIInChI=1S/C11H22O4Si/c1-6-11(7-2,10(14)15)8(9(12)13)16(3,4)5/h8H,6-7H2,1-5H3,(H,12,13)(H,14,15)
InChIKeyLJHBNDJTVKMVEW-UHFFFAOYSA-N
MW246.38 g/mol
LogP2.67
Rot. Bonds6

About 2,2-diethyl-3-trimethylsilylbutanedioic acid

2,2-diethyl-3-trimethylsilylbutanedioic acid (PubChem CID 154203266) has the molecular formula C11H22O4Si and a molecular weight of 246.38 g/mol. Its IUPAC name is 2,2-diethyl-3-trimethylsilylbutanedioic acid.

Molecular Properties

Compound Name2,2-diethyl-3-trimethylsilylbutanedioic acid
PubChem CID154203266
Molecular FormulaC11H22O4Si
Molecular Weight246.38 g/mol
Exact Mass246.13
IUPAC Name2,2-diethyl-3-trimethylsilylbutanedioic acid
SMILESCCC(CC)(C(=O)O)C(C(=O)O)[Si](C)(C)C
InChIInChI=1S/C11H22O4Si/c1-6-11(7-2,10(14)15)8(9(12)13)16(3,4)5/h8H,6-7H2,1-5H3,(H,12,13)(H,14,15)
InChIKeyLJHBNDJTVKMVEW-UHFFFAOYSA-N
XLogP2.67
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 138566
CID 138566
CID 256838
CID 256838
CID 58810967
CID 58810967
CID 87856013
CID 87856013
CID 89052342
CID 89052342
CID 140296809
CID 140296809
CID 141284054
CID 141284054
CID 142550319
CID 142550319
CID 151566205
CID 151566205
CID 152634417
CID 152634417
CID 153973357
CID 153973357
CID 159087915
CID 159087915

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-trimethylsilylbutanedioic acid?
The IUPAC name of 2,2-diethyl-3-trimethylsilylbutanedioic acid (CID 154203266) is 2,2-diethyl-3-trimethylsilylbutanedioic acid.
What is the SMILES notation for 2,2-diethyl-3-trimethylsilylbutanedioic acid?
The canonical SMILES for 2,2-diethyl-3-trimethylsilylbutanedioic acid is CCC(CC)(C(=O)O)C(C(=O)O)[Si](C)(C)C.
What is the InChIKey of 2,2-diethyl-3-trimethylsilylbutanedioic acid?
The InChIKey is LJHBNDJTVKMVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4Si/c1-6-11(7-2,10(14)15)8(9(12)13)16(3,4)5/h8H,6-7H2,1-5H3,(H,12,13)(H,14,15).
What are the key properties of 2,2-diethyl-3-trimethylsilylbutanedioic acid?
2,2-diethyl-3-trimethylsilylbutanedioic acid has a molecular weight of 246.38 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-trimethylsilylbutanedioic acid is sourced from PubChem (CID 154203266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).