2-(2-formyl-3-methyl-4-trimethylsilyloxycyclopentyl)propan-2-yl acetate

C15H28O4Si — CID 19349298

IUPAC2-(2-formyl-3-methyl-4-trimethylsilyloxycyclopentyl)propan-2-yl acetate
SMILESCC(=O)OC(C)(C)C1CC(O[Si](C)(C)C)C(C)C1C=O
InChIInChI=1S/C15H28O4Si/c1-10-12(9-16)13(15(3,4)18-11(2)17)8-14(10)19-20(5,6)7/h9-10,12-14H,8H2,1-7H3
InChIKeyIFIFEFKITXLJOE-UHFFFAOYSA-N
MW300.47 g/mol
LogP3.02
Rot. Bonds5

About 2-(2-formyl-3-methyl-4-trimethylsilyloxycyclopentyl)propan-2-yl acetate

2-(2-formyl-3-methyl-4-trimethylsilyloxycyclopentyl)propan-2-yl acetate (PubChem CID 19349298) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is 2-(2-formyl-3-methyl-4-trimethylsilyloxycyclopentyl)propan-2-yl acetate.

Molecular Properties

Compound Name2-(2-formyl-3-methyl-4-trimethylsilyloxycyclopentyl)propan-2-yl acetate
PubChem CID19349298
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Name2-(2-formyl-3-methyl-4-trimethylsilyloxycyclopentyl)propan-2-yl acetate
SMILESCC(=O)OC(C)(C)C1CC(O[Si](C)(C)C)C(C)C1C=O
InChIInChI=1S/C15H28O4Si/c1-10-12(9-16)13(15(3,4)18-11(2)17)8-14(10)19-20(5,6)7/h9-10,12-14H,8H2,1-7H3
InChIKeyIFIFEFKITXLJOE-UHFFFAOYSA-N
XLogP3.02
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-formyl-3-methyl-4-trimethylsilyloxycyclopentyl)propan-2-yl acetate 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 2-(2-formyl-3-methyl-4-trimethylsilyloxycyclopentyl)propan-2-yl acetate?
The IUPAC name of 2-(2-formyl-3-methyl-4-trimethylsilyloxycyclopentyl)propan-2-yl acetate (CID 19349298) is 2-(2-formyl-3-methyl-4-trimethylsilyloxycyclopentyl)propan-2-yl acetate.
What is the SMILES notation for 2-(2-formyl-3-methyl-4-trimethylsilyloxycyclopentyl)propan-2-yl acetate?
The canonical SMILES for 2-(2-formyl-3-methyl-4-trimethylsilyloxycyclopentyl)propan-2-yl acetate is CC(=O)OC(C)(C)C1CC(O[Si](C)(C)C)C(C)C1C=O.
What is the InChIKey of 2-(2-formyl-3-methyl-4-trimethylsilyloxycyclopentyl)propan-2-yl acetate?
The InChIKey is IFIFEFKITXLJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-10-12(9-16)13(15(3,4)18-11(2)17)8-14(10)19-20(5,6)7/h9-10,12-14H,8H2,1-7H3.
What are the key properties of 2-(2-formyl-3-methyl-4-trimethylsilyloxycyclopentyl)propan-2-yl acetate?
2-(2-formyl-3-methyl-4-trimethylsilyloxycyclopentyl)propan-2-yl acetate has a molecular weight of 300.47 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formyl-3-methyl-4-trimethylsilyloxycyclopentyl)propan-2-yl acetate is sourced from PubChem (CID 19349298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).