1-[tert-butyl(dimethyl)silyl]oxy-1-formyl-5,7a-dihydro-4aH-cyclopenta[c]pyran-4-carboxylic acid

C16H24O5Si — CID 175693029

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-1-formyl-5,7a-dihydro-4aH-cyclopenta[c]pyran-4-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OC1(C=O)OC=C(C(=O)O)C2CC=CC21
InChIInChI=1S/C16H24O5Si/c1-15(2,3)22(4,5)21-16(10-17)13-8-6-7-11(13)12(9-20-16)14(18)19/h6,8-11,13H,7H2,1-5H3,(H,18,19)
InChIKeyLXCCJEJHHCYYNF-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.09
Rot. Bonds4

About 1-[tert-butyl(dimethyl)silyl]oxy-1-formyl-5,7a-dihydro-4aH-cyclopenta[c]pyran-4-carboxylic acid

1-[tert-butyl(dimethyl)silyl]oxy-1-formyl-5,7a-dihydro-4aH-cyclopenta[c]pyran-4-carboxylic acid (PubChem CID 175693029) has the molecular formula C16H24O5Si and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-1-formyl-5,7a-dihydro-4aH-cyclopenta[c]pyran-4-carboxylic acid.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-1-formyl-5,7a-dihydro-4aH-cyclopenta[c]pyran-4-carboxylic acid
PubChem CID175693029
Molecular FormulaC16H24O5Si
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-1-formyl-5,7a-dihydro-4aH-cyclopenta[c]pyran-4-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OC1(C=O)OC=C(C(=O)O)C2CC=CC21
InChIInChI=1S/C16H24O5Si/c1-15(2,3)22(4,5)21-16(10-17)13-8-6-7-11(13)12(9-20-16)14(18)19/h6,8-11,13H,7H2,1-5H3,(H,18,19)
InChIKeyLXCCJEJHHCYYNF-UHFFFAOYSA-N
XLogP3.09
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[tert-butyl(dimethyl)silyl]oxy-1-formyl-5,7a-dihydro-4aH-cyclopenta[c]pyran-4-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

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-1-formyl-5,7a-dihydro-4aH-cyclopenta[c]pyran-4-carboxylic acid?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-1-formyl-5,7a-dihydro-4aH-cyclopenta[c]pyran-4-carboxylic acid (CID 175693029) is 1-[tert-butyl(dimethyl)silyl]oxy-1-formyl-5,7a-dihydro-4aH-cyclopenta[c]pyran-4-carboxylic acid.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-1-formyl-5,7a-dihydro-4aH-cyclopenta[c]pyran-4-carboxylic acid?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-1-formyl-5,7a-dihydro-4aH-cyclopenta[c]pyran-4-carboxylic acid is CC(C)(C)[Si](C)(C)OC1(C=O)OC=C(C(=O)O)C2CC=CC21.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-1-formyl-5,7a-dihydro-4aH-cyclopenta[c]pyran-4-carboxylic acid?
The InChIKey is LXCCJEJHHCYYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O5Si/c1-15(2,3)22(4,5)21-16(10-17)13-8-6-7-11(13)12(9-20-16)14(18)19/h6,8-11,13H,7H2,1-5H3,(H,18,19).
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-1-formyl-5,7a-dihydro-4aH-cyclopenta[c]pyran-4-carboxylic acid?
1-[tert-butyl(dimethyl)silyl]oxy-1-formyl-5,7a-dihydro-4aH-cyclopenta[c]pyran-4-carboxylic acid has a molecular weight of 324.45 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-1-formyl-5,7a-dihydro-4aH-cyclopenta[c]pyran-4-carboxylic acid is sourced from PubChem (CID 175693029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).