(2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,3-dimethylbutanoic acid

C18H36O5Si — CID 134916810

IUPAC(2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,3-dimethylbutanoic acid
SMILESCC1(C)OC[C@H]([C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)C(C)(C)C)O1
InChIInChI=1S/C18H36O5Si/c1-16(2,3)13(15(19)20)14(12-11-21-18(7,8)22-12)23-24(9,10)17(4,5)6/h12-14H,11H2,1-10H3,(H,19,20)/t12-,13+,14-/m1/s1
InChIKeyIFVAWKHBDJUAAR-HZSPNIEDSA-N
MW360.57 g/mol
LogP4.28
Rot. Bonds5

About (2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,3-dimethylbutanoic acid

(2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,3-dimethylbutanoic acid (PubChem CID 134916810) has the molecular formula C18H36O5Si and a molecular weight of 360.57 g/mol. Its IUPAC name is (2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,3-dimethylbutanoic acid
PubChem CID134916810
Molecular FormulaC18H36O5Si
Molecular Weight360.57 g/mol
Exact Mass360.23
IUPAC Name(2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,3-dimethylbutanoic acid
SMILESCC1(C)OC[C@H]([C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)C(C)(C)C)O1
InChIInChI=1S/C18H36O5Si/c1-16(2,3)13(15(19)20)14(12-11-21-18(7,8)22-12)23-24(9,10)17(4,5)6/h12-14H,11H2,1-10H3,(H,19,20)/t12-,13+,14-/m1/s1
InChIKeyIFVAWKHBDJUAAR-HZSPNIEDSA-N
XLogP4.28
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.57
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,3-dimethylbutanoic 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 (2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,3-dimethylbutanoic acid?
The IUPAC name of (2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,3-dimethylbutanoic acid (CID 134916810) is (2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,3-dimethylbutanoic acid is CC1(C)OC[C@H]([C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)C(C)(C)C)O1.
What is the InChIKey of (2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,3-dimethylbutanoic acid?
The InChIKey is IFVAWKHBDJUAAR-HZSPNIEDSA-N. The full InChI is InChI=1S/C18H36O5Si/c1-16(2,3)13(15(19)20)14(12-11-21-18(7,8)22-12)23-24(9,10)17(4,5)6/h12-14H,11H2,1-10H3,(H,19,20)/t12-,13+,14-/m1/s1.
What are the key properties of (2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,3-dimethylbutanoic acid?
(2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,3-dimethylbutanoic acid has a molecular weight of 360.57 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 134916810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).