(1S,2R,3S)-3-(2-trimethylsilylethoxycarbonyl)cyclobutane-1,2-dicarboxylic acid

C12H20O6Si — CID 70182808

IUPAC(1S,2R,3S)-3-(2-trimethylsilylethoxycarbonyl)cyclobutane-1,2-dicarboxylic acid
SMILESC[Si](C)(C)CCOC(=O)[C@H]1C[C@H](C(=O)O)[C@H]1C(=O)O
InChIInChI=1S/C12H20O6Si/c1-19(2,3)5-4-18-12(17)8-6-7(10(13)14)9(8)11(15)16/h7-9H,4-6H2,1-3H3,(H,13,14)(H,15,16)/t7-,8-,9+/m0/s1
InChIKeyQMRFMNSHWNKGCF-XHNCKOQMSA-N
MW288.37 g/mol
LogP1.29
Rot. Bonds6

About (1S,2R,3S)-3-(2-trimethylsilylethoxycarbonyl)cyclobutane-1,2-dicarboxylic acid

(1S,2R,3S)-3-(2-trimethylsilylethoxycarbonyl)cyclobutane-1,2-dicarboxylic acid (PubChem CID 70182808) has the molecular formula C12H20O6Si and a molecular weight of 288.37 g/mol. Its IUPAC name is (1S,2R,3S)-3-(2-trimethylsilylethoxycarbonyl)cyclobutane-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(1S,2R,3S)-3-(2-trimethylsilylethoxycarbonyl)cyclobutane-1,2-dicarboxylic acid
PubChem CID70182808
Molecular FormulaC12H20O6Si
Molecular Weight288.37 g/mol
Exact Mass288.10
IUPAC Name(1S,2R,3S)-3-(2-trimethylsilylethoxycarbonyl)cyclobutane-1,2-dicarboxylic acid
SMILESC[Si](C)(C)CCOC(=O)[C@H]1C[C@H](C(=O)O)[C@H]1C(=O)O
InChIInChI=1S/C12H20O6Si/c1-19(2,3)5-4-18-12(17)8-6-7(10(13)14)9(8)11(15)16/h7-9H,4-6H2,1-3H3,(H,13,14)(H,15,16)/t7-,8-,9+/m0/s1
InChIKeyQMRFMNSHWNKGCF-XHNCKOQMSA-N
XLogP1.29
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1S,2R,3S)-3-(2-trimethylsilylethoxycarbonyl)cyclobutane-1,2-dicarboxylic 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 (1S,2R,3S)-3-(2-trimethylsilylethoxycarbonyl)cyclobutane-1,2-dicarboxylic acid?
The IUPAC name of (1S,2R,3S)-3-(2-trimethylsilylethoxycarbonyl)cyclobutane-1,2-dicarboxylic acid (CID 70182808) is (1S,2R,3S)-3-(2-trimethylsilylethoxycarbonyl)cyclobutane-1,2-dicarboxylic acid.
What is the SMILES notation for (1S,2R,3S)-3-(2-trimethylsilylethoxycarbonyl)cyclobutane-1,2-dicarboxylic acid?
The canonical SMILES for (1S,2R,3S)-3-(2-trimethylsilylethoxycarbonyl)cyclobutane-1,2-dicarboxylic acid is C[Si](C)(C)CCOC(=O)[C@H]1C[C@H](C(=O)O)[C@H]1C(=O)O.
What is the InChIKey of (1S,2R,3S)-3-(2-trimethylsilylethoxycarbonyl)cyclobutane-1,2-dicarboxylic acid?
The InChIKey is QMRFMNSHWNKGCF-XHNCKOQMSA-N. The full InChI is InChI=1S/C12H20O6Si/c1-19(2,3)5-4-18-12(17)8-6-7(10(13)14)9(8)11(15)16/h7-9H,4-6H2,1-3H3,(H,13,14)(H,15,16)/t7-,8-,9+/m0/s1.
What are the key properties of (1S,2R,3S)-3-(2-trimethylsilylethoxycarbonyl)cyclobutane-1,2-dicarboxylic acid?
(1S,2R,3S)-3-(2-trimethylsilylethoxycarbonyl)cyclobutane-1,2-dicarboxylic acid has a molecular weight of 288.37 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S)-3-(2-trimethylsilylethoxycarbonyl)cyclobutane-1,2-dicarboxylic acid is sourced from PubChem (CID 70182808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).