(3R,3aS,6R,6aR)-6a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-ol

C16H32O3Si — CID 135068634

IUPAC(3R,3aS,6R,6aR)-6a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-ol
SMILESC[C@H]1CO[C@@]2(CO[Si](C)(C)C(C)(C)C)[C@H]1CC[C@@]2(C)O
InChIInChI=1S/C16H32O3Si/c1-12-10-18-16(13(12)8-9-15(16,5)17)11-19-20(6,7)14(2,3)4/h12-13,17H,8-11H2,1-7H3/t12-,13-,15+,16-/m0/s1
InChIKeyMARASDJCUWEEJU-UGQVUOCMSA-N
MW300.51 g/mol
LogP3.57
Rot. Bonds3

About (3R,3aS,6R,6aR)-6a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-ol

(3R,3aS,6R,6aR)-6a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-ol (PubChem CID 135068634) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is (3R,3aS,6R,6aR)-6a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-ol.

Molecular Properties

Compound Name(3R,3aS,6R,6aR)-6a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-ol
PubChem CID135068634
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Name(3R,3aS,6R,6aR)-6a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-ol
SMILESC[C@H]1CO[C@@]2(CO[Si](C)(C)C(C)(C)C)[C@H]1CC[C@@]2(C)O
InChIInChI=1S/C16H32O3Si/c1-12-10-18-16(13(12)8-9-15(16,5)17)11-19-20(6,7)14(2,3)4/h12-13,17H,8-11H2,1-7H3/t12-,13-,15+,16-/m0/s1
InChIKeyMARASDJCUWEEJU-UGQVUOCMSA-N
XLogP3.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R,3aS,6R,6aR)-6a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,3aS,6R,6aR)-6a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-ol?
The IUPAC name of (3R,3aS,6R,6aR)-6a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-ol (CID 135068634) is (3R,3aS,6R,6aR)-6a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-ol.
What is the SMILES notation for (3R,3aS,6R,6aR)-6a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-ol?
The canonical SMILES for (3R,3aS,6R,6aR)-6a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-ol is C[C@H]1CO[C@@]2(CO[Si](C)(C)C(C)(C)C)[C@H]1CC[C@@]2(C)O.
What is the InChIKey of (3R,3aS,6R,6aR)-6a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-ol?
The InChIKey is MARASDJCUWEEJU-UGQVUOCMSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-12-10-18-16(13(12)8-9-15(16,5)17)11-19-20(6,7)14(2,3)4/h12-13,17H,8-11H2,1-7H3/t12-,13-,15+,16-/m0/s1.
What are the key properties of (3R,3aS,6R,6aR)-6a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-ol?
(3R,3aS,6R,6aR)-6a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-ol has a molecular weight of 300.51 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aS,6R,6aR)-6a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-ol is sourced from PubChem (CID 135068634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).