(5S,7aS)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one

C14H24O3Si — CID 71477219

IUPAC(5S,7aS)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC[C@@H]2COC(=O)C=C21
InChIInChI=1S/C14H24O3Si/c1-14(2,3)18(4,5)17-12-7-6-10-9-16-13(15)8-11(10)12/h8,10,12H,6-7,9H2,1-5H3/t10-,12+/m1/s1
InChIKeyUUTSQHWRKMFKHG-PWSUYJOCSA-N
MW268.43 g/mol
LogP3.27
Rot. Bonds2

About (5S,7aS)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one

(5S,7aS)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one (PubChem CID 71477219) has the molecular formula C14H24O3Si and a molecular weight of 268.43 g/mol. Its IUPAC name is (5S,7aS)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one.

Molecular Properties

Compound Name(5S,7aS)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one
PubChem CID71477219
Molecular FormulaC14H24O3Si
Molecular Weight268.43 g/mol
Exact Mass268.15
IUPAC Name(5S,7aS)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC[C@@H]2COC(=O)C=C21
InChIInChI=1S/C14H24O3Si/c1-14(2,3)18(4,5)17-12-7-6-10-9-16-13(15)8-11(10)12/h8,10,12H,6-7,9H2,1-5H3/t10-,12+/m1/s1
InChIKeyUUTSQHWRKMFKHG-PWSUYJOCSA-N
XLogP3.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5S,7aS)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one 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 (5S,7aS)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one?
The IUPAC name of (5S,7aS)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one (CID 71477219) is (5S,7aS)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one.
What is the SMILES notation for (5S,7aS)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one?
The canonical SMILES for (5S,7aS)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one is CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@H]2COC(=O)C=C21.
What is the InChIKey of (5S,7aS)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one?
The InChIKey is UUTSQHWRKMFKHG-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H24O3Si/c1-14(2,3)18(4,5)17-12-7-6-10-9-16-13(15)8-11(10)12/h8,10,12H,6-7,9H2,1-5H3/t10-,12+/m1/s1.
What are the key properties of (5S,7aS)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one?
(5S,7aS)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one has a molecular weight of 268.43 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7aS)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one is sourced from PubChem (CID 71477219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).