(3aR,6aR)-5-[dimethyl(phenyl)silyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one

C16H20O3Si — CID 122382725

IUPAC(3aR,6aR)-5-[dimethyl(phenyl)silyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
SMILESCC1(C)O[C@@H]2C=C([Si](C)(C)c3ccccc3)C(=O)[C@@H]2O1
InChIInChI=1S/C16H20O3Si/c1-16(2)18-12-10-13(14(17)15(12)19-16)20(3,4)11-8-6-5-7-9-11/h5-10,12,15H,1-4H3/t12-,15-/m1/s1
InChIKeyNQRUSXOAAUXNOO-IUODEOHRSA-N
MW288.42 g/mol
LogP2.17
Rot. Bonds2

About (3aR,6aR)-5-[dimethyl(phenyl)silyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one

(3aR,6aR)-5-[dimethyl(phenyl)silyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one (PubChem CID 122382725) has the molecular formula C16H20O3Si and a molecular weight of 288.42 g/mol. Its IUPAC name is (3aR,6aR)-5-[dimethyl(phenyl)silyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one.

Molecular Properties

Compound Name(3aR,6aR)-5-[dimethyl(phenyl)silyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
PubChem CID122382725
Molecular FormulaC16H20O3Si
Molecular Weight288.42 g/mol
Exact Mass288.12
IUPAC Name(3aR,6aR)-5-[dimethyl(phenyl)silyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
SMILESCC1(C)O[C@@H]2C=C([Si](C)(C)c3ccccc3)C(=O)[C@@H]2O1
InChIInChI=1S/C16H20O3Si/c1-16(2)18-12-10-13(14(17)15(12)19-16)20(3,4)11-8-6-5-7-9-11/h5-10,12,15H,1-4H3/t12-,15-/m1/s1
InChIKeyNQRUSXOAAUXNOO-IUODEOHRSA-N
XLogP2.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-5-[dimethyl(phenyl)silyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one?
The IUPAC name of (3aR,6aR)-5-[dimethyl(phenyl)silyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one (CID 122382725) is (3aR,6aR)-5-[dimethyl(phenyl)silyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one.
What is the SMILES notation for (3aR,6aR)-5-[dimethyl(phenyl)silyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one?
The canonical SMILES for (3aR,6aR)-5-[dimethyl(phenyl)silyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one is CC1(C)O[C@@H]2C=C([Si](C)(C)c3ccccc3)C(=O)[C@@H]2O1.
What is the InChIKey of (3aR,6aR)-5-[dimethyl(phenyl)silyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one?
The InChIKey is NQRUSXOAAUXNOO-IUODEOHRSA-N. The full InChI is InChI=1S/C16H20O3Si/c1-16(2)18-12-10-13(14(17)15(12)19-16)20(3,4)11-8-6-5-7-9-11/h5-10,12,15H,1-4H3/t12-,15-/m1/s1.
What are the key properties of (3aR,6aR)-5-[dimethyl(phenyl)silyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one?
(3aR,6aR)-5-[dimethyl(phenyl)silyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one has a molecular weight of 288.42 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-[dimethyl(phenyl)silyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one is sourced from PubChem (CID 122382725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).