(3aS,4R,6aR)-4-trimethylsilyl-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one

C10H16O2Si — CID 102452092

IUPAC(3aS,4R,6aR)-4-trimethylsilyl-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one
SMILESC[Si](C)(C)[C@@H]1C=C[C@H]2COC(=O)[C@@H]12
InChIInChI=1S/C10H16O2Si/c1-13(2,3)8-5-4-7-6-12-10(11)9(7)8/h4-5,7-9H,6H2,1-3H3/t7-,8+,9+/m0/s1
InChIKeyHRHBGORRYXWYAC-DJLDLDEBSA-N
MW196.32 g/mol
LogP2.05
Rot. Bonds1

About (3aS,4R,6aR)-4-trimethylsilyl-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one

(3aS,4R,6aR)-4-trimethylsilyl-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one (PubChem CID 102452092) has the molecular formula C10H16O2Si and a molecular weight of 196.32 g/mol. Its IUPAC name is (3aS,4R,6aR)-4-trimethylsilyl-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one.

Molecular Properties

Compound Name(3aS,4R,6aR)-4-trimethylsilyl-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one
PubChem CID102452092
Molecular FormulaC10H16O2Si
Molecular Weight196.32 g/mol
Exact Mass196.09
IUPAC Name(3aS,4R,6aR)-4-trimethylsilyl-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one
SMILESC[Si](C)(C)[C@@H]1C=C[C@H]2COC(=O)[C@@H]12
InChIInChI=1S/C10H16O2Si/c1-13(2,3)8-5-4-7-6-12-10(11)9(7)8/h4-5,7-9H,6H2,1-3H3/t7-,8+,9+/m0/s1
InChIKeyHRHBGORRYXWYAC-DJLDLDEBSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (3aS,4R,6aR)-4-trimethylsilyl-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one?
The IUPAC name of (3aS,4R,6aR)-4-trimethylsilyl-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one (CID 102452092) is (3aS,4R,6aR)-4-trimethylsilyl-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one.
What is the SMILES notation for (3aS,4R,6aR)-4-trimethylsilyl-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one?
The canonical SMILES for (3aS,4R,6aR)-4-trimethylsilyl-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one is C[Si](C)(C)[C@@H]1C=C[C@H]2COC(=O)[C@@H]12.
What is the InChIKey of (3aS,4R,6aR)-4-trimethylsilyl-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one?
The InChIKey is HRHBGORRYXWYAC-DJLDLDEBSA-N. The full InChI is InChI=1S/C10H16O2Si/c1-13(2,3)8-5-4-7-6-12-10(11)9(7)8/h4-5,7-9H,6H2,1-3H3/t7-,8+,9+/m0/s1.
What are the key properties of (3aS,4R,6aR)-4-trimethylsilyl-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one?
(3aS,4R,6aR)-4-trimethylsilyl-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one has a molecular weight of 196.32 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R,6aR)-4-trimethylsilyl-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one is sourced from PubChem (CID 102452092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).