(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoic acid

C12H26O3Si — CID 87752521

IUPAC(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoic acid
SMILESC[C@@H](CCCC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O3Si/c1-10(8-7-9-11(13)14)15-16(5,6)12(2,3)4/h10H,7-9H2,1-6H3,(H,13,14)/t10-/m0/s1
InChIKeyPANDHPGJJCZSJZ-JTQLQIEISA-N
MW246.42 g/mol
LogP3.65
Rot. Bonds6

About (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoic acid

(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoic acid (PubChem CID 87752521) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoic acid.

Molecular Properties

Compound Name(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoic acid
PubChem CID87752521
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoic acid
SMILESC[C@@H](CCCC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O3Si/c1-10(8-7-9-11(13)14)15-16(5,6)12(2,3)4/h10H,7-9H2,1-6H3,(H,13,14)/t10-/m0/s1
InChIKeyPANDHPGJJCZSJZ-JTQLQIEISA-N
XLogP3.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoic 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 (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoic acid?
The IUPAC name of (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoic acid (CID 87752521) is (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoic acid.
What is the SMILES notation for (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoic acid?
The canonical SMILES for (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoic acid is C[C@@H](CCCC(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoic acid?
The InChIKey is PANDHPGJJCZSJZ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H26O3Si/c1-10(8-7-9-11(13)14)15-16(5,6)12(2,3)4/h10H,7-9H2,1-6H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoic acid?
(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoic acid has a molecular weight of 246.42 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoic acid is sourced from PubChem (CID 87752521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).