(3aR,4R,6aS)-4-[(E)-2-trimethylsilylethenyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

C12H20O2Si — CID 11299072

IUPAC(3aR,4R,6aS)-4-[(E)-2-trimethylsilylethenyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESC[Si](C)(C)/C=C/[C@@H]1CC[C@@H]2OC(=O)C[C@H]12
InChIInChI=1S/C12H20O2Si/c1-15(2,3)7-6-9-4-5-11-10(9)8-12(13)14-11/h6-7,9-11H,4-5,8H2,1-3H3/b7-6+/t9-,10+,11-/m0/s1
InChIKeyAUXJOBFYPWMSML-OANNRXPXSA-N
MW224.38 g/mol
LogP2.76
Rot. Bonds2

About (3aR,4R,6aS)-4-[(E)-2-trimethylsilylethenyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

(3aR,4R,6aS)-4-[(E)-2-trimethylsilylethenyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (PubChem CID 11299072) has the molecular formula C12H20O2Si and a molecular weight of 224.38 g/mol. Its IUPAC name is (3aR,4R,6aS)-4-[(E)-2-trimethylsilylethenyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3aR,4R,6aS)-4-[(E)-2-trimethylsilylethenyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
PubChem CID11299072
Molecular FormulaC12H20O2Si
Molecular Weight224.38 g/mol
Exact Mass224.12
IUPAC Name(3aR,4R,6aS)-4-[(E)-2-trimethylsilylethenyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESC[Si](C)(C)/C=C/[C@@H]1CC[C@@H]2OC(=O)C[C@H]12
InChIInChI=1S/C12H20O2Si/c1-15(2,3)7-6-9-4-5-11-10(9)8-12(13)14-11/h6-7,9-11H,4-5,8H2,1-3H3/b7-6+/t9-,10+,11-/m0/s1
InChIKeyAUXJOBFYPWMSML-OANNRXPXSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.38
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,3aR,6aS)-3-Allyl-hexahydro-cyclopenta[b]furan-2-one
CID 10820951
(3S,3aR,6aS)-3-Allyl-hexahydro-cyclopenta[b]furan-2-one
CID 15449321
(3aR,4S,6aS)-4-[(Z)-pent-2-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 101413654
(3R,3aR,4R,6aS)-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooct-1-enyl]-3-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 70434872
(3aR,4R,6aS)-4-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 70435754
(3aR,4R,6aS)-5,5-dimethyl-4-prop-2-enyl-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 14482484
CID 178270087
CID 178270087
(3aS,4S,6aR)-4-[(Z)-pent-2-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 11116921
3-Allyl-hexahydro-cyclopenta[b]furan-2-one
CID 18461547
(3aR,4R,6aR)-4-(5-oxooct-1-enyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 68122095
(3aR,4R,6aS)-4-ethenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 124198173
(3aR,6aS)-4-[(E)-oct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 141914355

Frequently Asked Questions

What is the IUPAC name of (3aR,4R,6aS)-4-[(E)-2-trimethylsilylethenyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The IUPAC name of (3aR,4R,6aS)-4-[(E)-2-trimethylsilylethenyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (CID 11299072) is (3aR,4R,6aS)-4-[(E)-2-trimethylsilylethenyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for (3aR,4R,6aS)-4-[(E)-2-trimethylsilylethenyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The canonical SMILES for (3aR,4R,6aS)-4-[(E)-2-trimethylsilylethenyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is C[Si](C)(C)/C=C/[C@@H]1CC[C@@H]2OC(=O)C[C@H]12.
What is the InChIKey of (3aR,4R,6aS)-4-[(E)-2-trimethylsilylethenyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The InChIKey is AUXJOBFYPWMSML-OANNRXPXSA-N. The full InChI is InChI=1S/C12H20O2Si/c1-15(2,3)7-6-9-4-5-11-10(9)8-12(13)14-11/h6-7,9-11H,4-5,8H2,1-3H3/b7-6+/t9-,10+,11-/m0/s1.
What are the key properties of (3aR,4R,6aS)-4-[(E)-2-trimethylsilylethenyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
(3aR,4R,6aS)-4-[(E)-2-trimethylsilylethenyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one has a molecular weight of 224.38 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,6aS)-4-[(E)-2-trimethylsilylethenyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 11299072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).