(4aR,6R,7S,7aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one

C15H28O4Si — CID 10685646

IUPAC(4aR,6R,7S,7aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]2COC(=O)C[C@H]2C[C@H]1O
InChIInChI=1S/C15H28O4Si/c1-15(2,3)20(4,5)19-9-12-11-8-18-14(17)7-10(11)6-13(12)16/h10-13,16H,6-9H2,1-5H3/t10-,11+,12-,13-/m1/s1
InChIKeyZXULQIQBFMIMGP-YVECIDJPSA-N
MW300.47 g/mol
LogP2.57
Rot. Bonds3

About (4aR,6R,7S,7aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one

(4aR,6R,7S,7aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one (PubChem CID 10685646) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is (4aR,6R,7S,7aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one.

Molecular Properties

Compound Name(4aR,6R,7S,7aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one
PubChem CID10685646
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Name(4aR,6R,7S,7aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]2COC(=O)C[C@H]2C[C@H]1O
InChIInChI=1S/C15H28O4Si/c1-15(2,3)20(4,5)19-9-12-11-8-18-14(17)7-10(11)6-13(12)16/h10-13,16H,6-9H2,1-5H3/t10-,11+,12-,13-/m1/s1
InChIKeyZXULQIQBFMIMGP-YVECIDJPSA-N
XLogP2.57
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4aR,6R,7S,7aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-4,4a,5,6,7,7a-hexahydro-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 (4aR,6R,7S,7aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one?
The IUPAC name of (4aR,6R,7S,7aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one (CID 10685646) is (4aR,6R,7S,7aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one.
What is the SMILES notation for (4aR,6R,7S,7aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one?
The canonical SMILES for (4aR,6R,7S,7aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one is CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]2COC(=O)C[C@H]2C[C@H]1O.
What is the InChIKey of (4aR,6R,7S,7aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one?
The InChIKey is ZXULQIQBFMIMGP-YVECIDJPSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-15(2,3)20(4,5)19-9-12-11-8-18-14(17)7-10(11)6-13(12)16/h10-13,16H,6-9H2,1-5H3/t10-,11+,12-,13-/m1/s1.
What are the key properties of (4aR,6R,7S,7aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one?
(4aR,6R,7S,7aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one has a molecular weight of 300.47 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,6R,7S,7aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one is sourced from PubChem (CID 10685646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).