(1S,4R)-4-(2-trimethylsilylethoxycarbonyl)cyclobut-2-ene-1-carboxylic acid

C11H18O4Si — CID 23255110

IUPAC(1S,4R)-4-(2-trimethylsilylethoxycarbonyl)cyclobut-2-ene-1-carboxylic acid
SMILESC[Si](C)(C)CCOC(=O)[C@@H]1C=C[C@@H]1C(=O)O
InChIInChI=1S/C11H18O4Si/c1-16(2,3)7-6-15-11(14)9-5-4-8(9)10(12)13/h4-5,8-9H,6-7H2,1-3H3,(H,12,13)/t8-,9+/m0/s1
InChIKeyOEZHDVBRMCYPRF-DTWKUNHWSA-N
MW242.35 g/mol
LogP1.75
Rot. Bonds5

About (1S,4R)-4-(2-trimethylsilylethoxycarbonyl)cyclobut-2-ene-1-carboxylic acid

(1S,4R)-4-(2-trimethylsilylethoxycarbonyl)cyclobut-2-ene-1-carboxylic acid (PubChem CID 23255110) has the molecular formula C11H18O4Si and a molecular weight of 242.35 g/mol. Its IUPAC name is (1S,4R)-4-(2-trimethylsilylethoxycarbonyl)cyclobut-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name(1S,4R)-4-(2-trimethylsilylethoxycarbonyl)cyclobut-2-ene-1-carboxylic acid
PubChem CID23255110
Molecular FormulaC11H18O4Si
Molecular Weight242.35 g/mol
Exact Mass242.10
IUPAC Name(1S,4R)-4-(2-trimethylsilylethoxycarbonyl)cyclobut-2-ene-1-carboxylic acid
SMILESC[Si](C)(C)CCOC(=O)[C@@H]1C=C[C@@H]1C(=O)O
InChIInChI=1S/C11H18O4Si/c1-16(2,3)7-6-15-11(14)9-5-4-8(9)10(12)13/h4-5,8-9H,6-7H2,1-3H3,(H,12,13)/t8-,9+/m0/s1
InChIKeyOEZHDVBRMCYPRF-DTWKUNHWSA-N
XLogP1.75
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,4R)-4-(2-trimethylsilylethoxycarbonyl)cyclobut-2-ene-1-carboxylic acid?
The IUPAC name of (1S,4R)-4-(2-trimethylsilylethoxycarbonyl)cyclobut-2-ene-1-carboxylic acid (CID 23255110) is (1S,4R)-4-(2-trimethylsilylethoxycarbonyl)cyclobut-2-ene-1-carboxylic acid.
What is the SMILES notation for (1S,4R)-4-(2-trimethylsilylethoxycarbonyl)cyclobut-2-ene-1-carboxylic acid?
The canonical SMILES for (1S,4R)-4-(2-trimethylsilylethoxycarbonyl)cyclobut-2-ene-1-carboxylic acid is C[Si](C)(C)CCOC(=O)[C@@H]1C=C[C@@H]1C(=O)O.
What is the InChIKey of (1S,4R)-4-(2-trimethylsilylethoxycarbonyl)cyclobut-2-ene-1-carboxylic acid?
The InChIKey is OEZHDVBRMCYPRF-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H18O4Si/c1-16(2,3)7-6-15-11(14)9-5-4-8(9)10(12)13/h4-5,8-9H,6-7H2,1-3H3,(H,12,13)/t8-,9+/m0/s1.
What are the key properties of (1S,4R)-4-(2-trimethylsilylethoxycarbonyl)cyclobut-2-ene-1-carboxylic acid?
(1S,4R)-4-(2-trimethylsilylethoxycarbonyl)cyclobut-2-ene-1-carboxylic acid has a molecular weight of 242.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-4-(2-trimethylsilylethoxycarbonyl)cyclobut-2-ene-1-carboxylic acid is sourced from PubChem (CID 23255110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).