3-[dimethyl(2-methylpropyl)silyl]oxy-2-hydroxy-2-propan-2-ylbutanedioic acid

C13H26O6Si — CID 87089834

IUPAC3-[dimethyl(2-methylpropyl)silyl]oxy-2-hydroxy-2-propan-2-ylbutanedioic acid
SMILESCC(C)C[Si](C)(C)OC(C(=O)O)C(O)(C(=O)O)C(C)C
InChIInChI=1S/C13H26O6Si/c1-8(2)7-20(5,6)19-10(11(14)15)13(18,9(3)4)12(16)17/h8-10,18H,7H2,1-6H3,(H,14,15)(H,16,17)
InChIKeyRFZNJJFOJNHCRV-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.79
Rot. Bonds8

About 3-[dimethyl(2-methylpropyl)silyl]oxy-2-hydroxy-2-propan-2-ylbutanedioic acid

3-[dimethyl(2-methylpropyl)silyl]oxy-2-hydroxy-2-propan-2-ylbutanedioic acid (PubChem CID 87089834) has the molecular formula C13H26O6Si and a molecular weight of 306.43 g/mol. Its IUPAC name is 3-[dimethyl(2-methylpropyl)silyl]oxy-2-hydroxy-2-propan-2-ylbutanedioic acid.

Molecular Properties

Compound Name3-[dimethyl(2-methylpropyl)silyl]oxy-2-hydroxy-2-propan-2-ylbutanedioic acid
PubChem CID87089834
Molecular FormulaC13H26O6Si
Molecular Weight306.43 g/mol
Exact Mass306.15
IUPAC Name3-[dimethyl(2-methylpropyl)silyl]oxy-2-hydroxy-2-propan-2-ylbutanedioic acid
SMILESCC(C)C[Si](C)(C)OC(C(=O)O)C(O)(C(=O)O)C(C)C
InChIInChI=1S/C13H26O6Si/c1-8(2)7-20(5,6)19-10(11(14)15)13(18,9(3)4)12(16)17/h8-10,18H,7H2,1-6H3,(H,14,15)(H,16,17)
InChIKeyRFZNJJFOJNHCRV-UHFFFAOYSA-N
XLogP1.79
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[dimethyl(2-methylpropyl)silyl]oxy-2-hydroxy-2-propan-2-ylbutanedioic acid?
The IUPAC name of 3-[dimethyl(2-methylpropyl)silyl]oxy-2-hydroxy-2-propan-2-ylbutanedioic acid (CID 87089834) is 3-[dimethyl(2-methylpropyl)silyl]oxy-2-hydroxy-2-propan-2-ylbutanedioic acid.
What is the SMILES notation for 3-[dimethyl(2-methylpropyl)silyl]oxy-2-hydroxy-2-propan-2-ylbutanedioic acid?
The canonical SMILES for 3-[dimethyl(2-methylpropyl)silyl]oxy-2-hydroxy-2-propan-2-ylbutanedioic acid is CC(C)C[Si](C)(C)OC(C(=O)O)C(O)(C(=O)O)C(C)C.
What is the InChIKey of 3-[dimethyl(2-methylpropyl)silyl]oxy-2-hydroxy-2-propan-2-ylbutanedioic acid?
The InChIKey is RFZNJJFOJNHCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O6Si/c1-8(2)7-20(5,6)19-10(11(14)15)13(18,9(3)4)12(16)17/h8-10,18H,7H2,1-6H3,(H,14,15)(H,16,17).
What are the key properties of 3-[dimethyl(2-methylpropyl)silyl]oxy-2-hydroxy-2-propan-2-ylbutanedioic acid?
3-[dimethyl(2-methylpropyl)silyl]oxy-2-hydroxy-2-propan-2-ylbutanedioic acid has a molecular weight of 306.43 g/mol, XLogP of 1.79, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl(2-methylpropyl)silyl]oxy-2-hydroxy-2-propan-2-ylbutanedioic acid is sourced from PubChem (CID 87089834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).