(3aR,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-5H-cyclopenta[d][1,3]dioxol-4-one

C15H28O4Si — CID 134833051

IUPAC(3aR,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-5H-cyclopenta[d][1,3]dioxol-4-one
SMILESCC1(C)O[C@@H]2CCC(=O)[C@]2(CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H28O4Si/c1-13(2,3)20(6,7)17-10-15-11(16)8-9-12(15)18-14(4,5)19-15/h12H,8-10H2,1-7H3/t12-,15+/m1/s1
InChIKeyGLPQTNYDPOIBKW-DOMZBBRYSA-N
MW300.47 g/mol
LogP3.26
Rot. Bonds3

About (3aR,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-5H-cyclopenta[d][1,3]dioxol-4-one

(3aR,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-5H-cyclopenta[d][1,3]dioxol-4-one (PubChem CID 134833051) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is (3aR,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-5H-cyclopenta[d][1,3]dioxol-4-one.

Molecular Properties

Compound Name(3aR,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-5H-cyclopenta[d][1,3]dioxol-4-one
PubChem CID134833051
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Name(3aR,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-5H-cyclopenta[d][1,3]dioxol-4-one
SMILESCC1(C)O[C@@H]2CCC(=O)[C@]2(CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H28O4Si/c1-13(2,3)20(6,7)17-10-15-11(16)8-9-12(15)18-14(4,5)19-15/h12H,8-10H2,1-7H3/t12-,15+/m1/s1
InChIKeyGLPQTNYDPOIBKW-DOMZBBRYSA-N
XLogP3.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-5H-cyclopenta[d][1,3]dioxol-4-one?
The IUPAC name of (3aR,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-5H-cyclopenta[d][1,3]dioxol-4-one (CID 134833051) is (3aR,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-5H-cyclopenta[d][1,3]dioxol-4-one.
What is the SMILES notation for (3aR,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-5H-cyclopenta[d][1,3]dioxol-4-one?
The canonical SMILES for (3aR,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-5H-cyclopenta[d][1,3]dioxol-4-one is CC1(C)O[C@@H]2CCC(=O)[C@]2(CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (3aR,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-5H-cyclopenta[d][1,3]dioxol-4-one?
The InChIKey is GLPQTNYDPOIBKW-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-13(2,3)20(6,7)17-10-15-11(16)8-9-12(15)18-14(4,5)19-15/h12H,8-10H2,1-7H3/t12-,15+/m1/s1.
What are the key properties of (3aR,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-5H-cyclopenta[d][1,3]dioxol-4-one?
(3aR,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-5H-cyclopenta[d][1,3]dioxol-4-one has a molecular weight of 300.47 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-5H-cyclopenta[d][1,3]dioxol-4-one is sourced from PubChem (CID 134833051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).