(3S)-4-methyl-3,4-bis(triethylsilyloxy)pentanoic acid

C18H40O4Si2 — CID 87444332

IUPAC(3S)-4-methyl-3,4-bis(triethylsilyloxy)pentanoic acid
SMILESCC[Si](CC)(CC)O[C@@H](CC(=O)O)C(C)(C)O[Si](CC)(CC)CC
InChIInChI=1S/C18H40O4Si2/c1-9-23(10-2,11-3)21-16(15-17(19)20)18(7,8)22-24(12-4,13-5)14-6/h16H,9-15H2,1-8H3,(H,19,20)/t16-/m0/s1
InChIKeyXCGKZAIMNKXQHS-INIZCTEOSA-N
MW376.69 g/mol
LogP5.65
Rot. Bonds13

About (3S)-4-methyl-3,4-bis(triethylsilyloxy)pentanoic acid

(3S)-4-methyl-3,4-bis(triethylsilyloxy)pentanoic acid (PubChem CID 87444332) has the molecular formula C18H40O4Si2 and a molecular weight of 376.69 g/mol. Its IUPAC name is (3S)-4-methyl-3,4-bis(triethylsilyloxy)pentanoic acid.

Molecular Properties

Compound Name(3S)-4-methyl-3,4-bis(triethylsilyloxy)pentanoic acid
PubChem CID87444332
Molecular FormulaC18H40O4Si2
Molecular Weight376.69 g/mol
Exact Mass376.25
IUPAC Name(3S)-4-methyl-3,4-bis(triethylsilyloxy)pentanoic acid
SMILESCC[Si](CC)(CC)O[C@@H](CC(=O)O)C(C)(C)O[Si](CC)(CC)CC
InChIInChI=1S/C18H40O4Si2/c1-9-23(10-2,11-3)21-16(15-17(19)20)18(7,8)22-24(12-4,13-5)14-6/h16H,9-15H2,1-8H3,(H,19,20)/t16-/m0/s1
InChIKeyXCGKZAIMNKXQHS-INIZCTEOSA-N
XLogP5.65
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.69
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-4-methyl-3,4-bis(triethylsilyloxy)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-4-methyl-3,4-bis(triethylsilyloxy)pentanoic acid?
The IUPAC name of (3S)-4-methyl-3,4-bis(triethylsilyloxy)pentanoic acid (CID 87444332) is (3S)-4-methyl-3,4-bis(triethylsilyloxy)pentanoic acid.
What is the SMILES notation for (3S)-4-methyl-3,4-bis(triethylsilyloxy)pentanoic acid?
The canonical SMILES for (3S)-4-methyl-3,4-bis(triethylsilyloxy)pentanoic acid is CC[Si](CC)(CC)O[C@@H](CC(=O)O)C(C)(C)O[Si](CC)(CC)CC.
What is the InChIKey of (3S)-4-methyl-3,4-bis(triethylsilyloxy)pentanoic acid?
The InChIKey is XCGKZAIMNKXQHS-INIZCTEOSA-N. The full InChI is InChI=1S/C18H40O4Si2/c1-9-23(10-2,11-3)21-16(15-17(19)20)18(7,8)22-24(12-4,13-5)14-6/h16H,9-15H2,1-8H3,(H,19,20)/t16-/m0/s1.
What are the key properties of (3S)-4-methyl-3,4-bis(triethylsilyloxy)pentanoic acid?
(3S)-4-methyl-3,4-bis(triethylsilyloxy)pentanoic acid has a molecular weight of 376.69 g/mol, XLogP of 5.65, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-methyl-3,4-bis(triethylsilyloxy)pentanoic acid is sourced from PubChem (CID 87444332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).