4-hydroxy-4-(2-trimethylsilylethynyl)oxane-2-carboxylic acid

C11H18O4Si — CID 18616533

IUPAC4-hydroxy-4-(2-trimethylsilylethynyl)oxane-2-carboxylic acid
SMILESC[Si](C)(C)C#CC1(O)CCOC(C(=O)O)C1
InChIInChI=1S/C11H18O4Si/c1-16(2,3)7-5-11(14)4-6-15-9(8-11)10(12)13/h9,14H,4,6,8H2,1-3H3,(H,12,13)
InChIKeyGRMBMGDNARADGP-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.86
Rot. Bonds1

About 4-hydroxy-4-(2-trimethylsilylethynyl)oxane-2-carboxylic acid

4-hydroxy-4-(2-trimethylsilylethynyl)oxane-2-carboxylic acid (PubChem CID 18616533) has the molecular formula C11H18O4Si and a molecular weight of 242.35 g/mol. Its IUPAC name is 4-hydroxy-4-(2-trimethylsilylethynyl)oxane-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-4-(2-trimethylsilylethynyl)oxane-2-carboxylic acid
PubChem CID18616533
Molecular FormulaC11H18O4Si
Molecular Weight242.35 g/mol
Exact Mass242.10
IUPAC Name4-hydroxy-4-(2-trimethylsilylethynyl)oxane-2-carboxylic acid
SMILESC[Si](C)(C)C#CC1(O)CCOC(C(=O)O)C1
InChIInChI=1S/C11H18O4Si/c1-16(2,3)7-5-11(14)4-6-15-9(8-11)10(12)13/h9,14H,4,6,8H2,1-3H3,(H,12,13)
InChIKeyGRMBMGDNARADGP-UHFFFAOYSA-N
XLogP0.86
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-hydroxy-4-(2-trimethylsilylethynyl)oxane-2-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

4-Hydroxy-4-trimethylsilanylethynyl-tetrahydro-pyran-2-carboxylic Acid Ethyl Ester
CID 53667156
(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylic acid
CID 53678910
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylic acid
CID 67885017
(2R,4S)-4-triethylsilyloxyoxane-2-carboxylic acid
CID 140450604
4-[Tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylic acid
CID 158900790
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloxane-2-carboxylic acid
CID 11043993
4-Ethynyl-4-hydroxyoxane-2-carboxylic acid
CID 18616476
4-Ethoxy-2-methyloxane-4-carboxylic acid
CID 116769248
Ethyl 4-hydroxy-4-methyl-2-propan-2-yloxy-6-trimethylsilylhex-5-ynoate
CID 175241056

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(2-trimethylsilylethynyl)oxane-2-carboxylic acid?
The IUPAC name of 4-hydroxy-4-(2-trimethylsilylethynyl)oxane-2-carboxylic acid (CID 18616533) is 4-hydroxy-4-(2-trimethylsilylethynyl)oxane-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-4-(2-trimethylsilylethynyl)oxane-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-4-(2-trimethylsilylethynyl)oxane-2-carboxylic acid is C[Si](C)(C)C#CC1(O)CCOC(C(=O)O)C1.
What is the InChIKey of 4-hydroxy-4-(2-trimethylsilylethynyl)oxane-2-carboxylic acid?
The InChIKey is GRMBMGDNARADGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4Si/c1-16(2,3)7-5-11(14)4-6-15-9(8-11)10(12)13/h9,14H,4,6,8H2,1-3H3,(H,12,13).
What are the key properties of 4-hydroxy-4-(2-trimethylsilylethynyl)oxane-2-carboxylic acid?
4-hydroxy-4-(2-trimethylsilylethynyl)oxane-2-carboxylic acid has a molecular weight of 242.35 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(2-trimethylsilylethynyl)oxane-2-carboxylic acid is sourced from PubChem (CID 18616533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).