(3S,3aR,6R,6aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one

C16H30O3Si — CID 71499560

IUPAC(3S,3aR,6R,6aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one
SMILESC[C@@H]1CC[C@@H]2[C@H]1C(=O)O[C@]2(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-11-8-9-12-13(11)14(17)19-16(12,5)10-18-20(6,7)15(2,3)4/h11-13H,8-10H2,1-7H3/t11-,12-,13+,16-/m1/s1
InChIKeyCTTATGFKKGKOEU-NFFDBFGFSA-N
MW298.50 g/mol
LogP3.99
Rot. Bonds3

About (3S,3aR,6R,6aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one

(3S,3aR,6R,6aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one (PubChem CID 71499560) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is (3S,3aR,6R,6aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one.

Molecular Properties

Compound Name(3S,3aR,6R,6aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one
PubChem CID71499560
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name(3S,3aR,6R,6aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one
SMILESC[C@@H]1CC[C@@H]2[C@H]1C(=O)O[C@]2(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-11-8-9-12-13(11)14(17)19-16(12,5)10-18-20(6,7)15(2,3)4/h11-13H,8-10H2,1-7H3/t11-,12-,13+,16-/m1/s1
InChIKeyCTTATGFKKGKOEU-NFFDBFGFSA-N
XLogP3.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S,3aR,6R,6aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-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 (3S,3aR,6R,6aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one?
The IUPAC name of (3S,3aR,6R,6aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one (CID 71499560) is (3S,3aR,6R,6aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one.
What is the SMILES notation for (3S,3aR,6R,6aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one?
The canonical SMILES for (3S,3aR,6R,6aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one is C[C@@H]1CC[C@@H]2[C@H]1C(=O)O[C@]2(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,3aR,6R,6aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one?
The InChIKey is CTTATGFKKGKOEU-NFFDBFGFSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-11-8-9-12-13(11)14(17)19-16(12,5)10-18-20(6,7)15(2,3)4/h11-13H,8-10H2,1-7H3/t11-,12-,13+,16-/m1/s1.
What are the key properties of (3S,3aR,6R,6aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one?
(3S,3aR,6R,6aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one has a molecular weight of 298.50 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aR,6R,6aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one is sourced from PubChem (CID 71499560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).