diethyl 2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-2-(hydroxymethyl)propanedioate

C15H30O6Si — CID 88990094

IUPACdiethyl 2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-2-(hydroxymethyl)propanedioate
SMILESCCOC(=O)C(CO)(CCC(C)(C)[Si](C)(C)O)C(=O)OCC
InChIInChI=1S/C15H30O6Si/c1-7-20-12(17)15(11-16,13(18)21-8-2)10-9-14(3,4)22(5,6)19/h16,19H,7-11H2,1-6H3
InChIKeyQGAWVXMROHXLEJ-UHFFFAOYSA-N
MW334.49 g/mol
LogP1.85
Rot. Bonds9

About diethyl 2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-2-(hydroxymethyl)propanedioate

diethyl 2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-2-(hydroxymethyl)propanedioate (PubChem CID 88990094) has the molecular formula C15H30O6Si and a molecular weight of 334.49 g/mol. Its IUPAC name is diethyl 2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-2-(hydroxymethyl)propanedioate.

Molecular Properties

Compound Namediethyl 2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-2-(hydroxymethyl)propanedioate
PubChem CID88990094
Molecular FormulaC15H30O6Si
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC Namediethyl 2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-2-(hydroxymethyl)propanedioate
SMILESCCOC(=O)C(CO)(CCC(C)(C)[Si](C)(C)O)C(=O)OCC
InChIInChI=1S/C15H30O6Si/c1-7-20-12(17)15(11-16,13(18)21-8-2)10-9-14(3,4)22(5,6)19/h16,19H,7-11H2,1-6H3
InChIKeyQGAWVXMROHXLEJ-UHFFFAOYSA-N
XLogP1.85
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-2-(hydroxymethyl)propanedioate?
The IUPAC name of diethyl 2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-2-(hydroxymethyl)propanedioate (CID 88990094) is diethyl 2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-2-(hydroxymethyl)propanedioate.
What is the SMILES notation for diethyl 2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-2-(hydroxymethyl)propanedioate?
The canonical SMILES for diethyl 2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-2-(hydroxymethyl)propanedioate is CCOC(=O)C(CO)(CCC(C)(C)[Si](C)(C)O)C(=O)OCC.
What is the InChIKey of diethyl 2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-2-(hydroxymethyl)propanedioate?
The InChIKey is QGAWVXMROHXLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O6Si/c1-7-20-12(17)15(11-16,13(18)21-8-2)10-9-14(3,4)22(5,6)19/h16,19H,7-11H2,1-6H3.
What are the key properties of diethyl 2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-2-(hydroxymethyl)propanedioate?
diethyl 2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-2-(hydroxymethyl)propanedioate has a molecular weight of 334.49 g/mol, XLogP of 1.85, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-2-(hydroxymethyl)propanedioate is sourced from PubChem (CID 88990094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).