(3R,6aS)-3-prop-2-enoxy-4-trimethylsilyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one

C13H20O3Si — CID 11459420

IUPAC(3R,6aS)-3-prop-2-enoxy-4-trimethylsilyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
SMILESC=CCO[C@@H]1OC[C@H]2CC(=O)C([Si](C)(C)C)=C21
InChIInChI=1S/C13H20O3Si/c1-5-6-15-13-11-9(8-16-13)7-10(14)12(11)17(2,3)4/h5,9,13H,1,6-8H2,2-4H3/t9-,13-/m1/s1
InChIKeyNECPBUCRFOKWSL-NOZJJQNGSA-N
MW252.39 g/mol
LogP2.31
Rot. Bonds4

About (3R,6aS)-3-prop-2-enoxy-4-trimethylsilyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one

(3R,6aS)-3-prop-2-enoxy-4-trimethylsilyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (PubChem CID 11459420) has the molecular formula C13H20O3Si and a molecular weight of 252.39 g/mol. Its IUPAC name is (3R,6aS)-3-prop-2-enoxy-4-trimethylsilyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.

Molecular Properties

Compound Name(3R,6aS)-3-prop-2-enoxy-4-trimethylsilyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
PubChem CID11459420
Molecular FormulaC13H20O3Si
Molecular Weight252.39 g/mol
Exact Mass252.12
IUPAC Name(3R,6aS)-3-prop-2-enoxy-4-trimethylsilyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
SMILESC=CCO[C@@H]1OC[C@H]2CC(=O)C([Si](C)(C)C)=C21
InChIInChI=1S/C13H20O3Si/c1-5-6-15-13-11-9(8-16-13)7-10(14)12(11)17(2,3)4/h5,9,13H,1,6-8H2,2-4H3/t9-,13-/m1/s1
InChIKeyNECPBUCRFOKWSL-NOZJJQNGSA-N
XLogP2.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,6aS)-3-prop-2-enoxy-4-trimethylsilyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The IUPAC name of (3R,6aS)-3-prop-2-enoxy-4-trimethylsilyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (CID 11459420) is (3R,6aS)-3-prop-2-enoxy-4-trimethylsilyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.
What is the SMILES notation for (3R,6aS)-3-prop-2-enoxy-4-trimethylsilyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The canonical SMILES for (3R,6aS)-3-prop-2-enoxy-4-trimethylsilyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is C=CCO[C@@H]1OC[C@H]2CC(=O)C([Si](C)(C)C)=C21.
What is the InChIKey of (3R,6aS)-3-prop-2-enoxy-4-trimethylsilyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The InChIKey is NECPBUCRFOKWSL-NOZJJQNGSA-N. The full InChI is InChI=1S/C13H20O3Si/c1-5-6-15-13-11-9(8-16-13)7-10(14)12(11)17(2,3)4/h5,9,13H,1,6-8H2,2-4H3/t9-,13-/m1/s1.
What are the key properties of (3R,6aS)-3-prop-2-enoxy-4-trimethylsilyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
(3R,6aS)-3-prop-2-enoxy-4-trimethylsilyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one has a molecular weight of 252.39 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6aS)-3-prop-2-enoxy-4-trimethylsilyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is sourced from PubChem (CID 11459420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).