(2S)-2-hydroxy-3-methyl-2,3-bis(trimethylsilyl)butanoic acid

C11H26O3Si2 — CID 86617061

IUPAC(2S)-2-hydroxy-3-methyl-2,3-bis(trimethylsilyl)butanoic acid
SMILESCC(C)([C@](O)(C(=O)O)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C11H26O3Si2/c1-10(2,15(3,4)5)11(14,9(12)13)16(6,7)8/h14H,1-8H3,(H,12,13)/t11-/m0/s1
InChIKeyDLSDSBXBEMWPFE-NSHDSACASA-N
MW262.50 g/mol
LogP2.80
Rot. Bonds4

About (2S)-2-hydroxy-3-methyl-2,3-bis(trimethylsilyl)butanoic acid

(2S)-2-hydroxy-3-methyl-2,3-bis(trimethylsilyl)butanoic acid (PubChem CID 86617061) has the molecular formula C11H26O3Si2 and a molecular weight of 262.50 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-methyl-2,3-bis(trimethylsilyl)butanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-methyl-2,3-bis(trimethylsilyl)butanoic acid
PubChem CID86617061
Molecular FormulaC11H26O3Si2
Molecular Weight262.50 g/mol
Exact Mass262.14
IUPAC Name(2S)-2-hydroxy-3-methyl-2,3-bis(trimethylsilyl)butanoic acid
SMILESCC(C)([C@](O)(C(=O)O)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C11H26O3Si2/c1-10(2,15(3,4)5)11(14,9(12)13)16(6,7)8/h14H,1-8H3,(H,12,13)/t11-/m0/s1
InChIKeyDLSDSBXBEMWPFE-NSHDSACASA-N
XLogP2.80
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.50
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (2S)-2-hydroxy-3-methyl-2,3-bis(trimethylsilyl)butanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-methyl-2,3-bis(trimethylsilyl)butanoic acid (CID 86617061) is (2S)-2-hydroxy-3-methyl-2,3-bis(trimethylsilyl)butanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-methyl-2,3-bis(trimethylsilyl)butanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-methyl-2,3-bis(trimethylsilyl)butanoic acid is CC(C)([C@](O)(C(=O)O)[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of (2S)-2-hydroxy-3-methyl-2,3-bis(trimethylsilyl)butanoic acid?
The InChIKey is DLSDSBXBEMWPFE-NSHDSACASA-N. The full InChI is InChI=1S/C11H26O3Si2/c1-10(2,15(3,4)5)11(14,9(12)13)16(6,7)8/h14H,1-8H3,(H,12,13)/t11-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-methyl-2,3-bis(trimethylsilyl)butanoic acid?
(2S)-2-hydroxy-3-methyl-2,3-bis(trimethylsilyl)butanoic acid has a molecular weight of 262.50 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-methyl-2,3-bis(trimethylsilyl)butanoic acid is sourced from PubChem (CID 86617061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).