(3S,3aS,6aS)-5-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3-methyl-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one

C16H26O3Si — CID 11808545

IUPAC(3S,3aS,6aS)-5-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3-methyl-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one
SMILESC=C(O[Si](C)(C)C(C)(C)C)C1=C[C@@H]2[C@H](C1)OC(=O)[C@H]2C
InChIInChI=1S/C16H26O3Si/c1-10-13-8-12(9-14(13)18-15(10)17)11(2)19-20(6,7)16(3,4)5/h8,10,13-14H,2,9H2,1,3-7H3/t10-,13-,14-/m0/s1
InChIKeyBGSCFIIZNPGXFP-BPNCWPANSA-N
MW294.47 g/mol
LogP4.03
Rot. Bonds3

About (3S,3aS,6aS)-5-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3-methyl-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one

(3S,3aS,6aS)-5-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3-methyl-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one (PubChem CID 11808545) has the molecular formula C16H26O3Si and a molecular weight of 294.47 g/mol. Its IUPAC name is (3S,3aS,6aS)-5-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3-methyl-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3S,3aS,6aS)-5-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3-methyl-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one
PubChem CID11808545
Molecular FormulaC16H26O3Si
Molecular Weight294.47 g/mol
Exact Mass294.17
IUPAC Name(3S,3aS,6aS)-5-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3-methyl-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one
SMILESC=C(O[Si](C)(C)C(C)(C)C)C1=C[C@@H]2[C@H](C1)OC(=O)[C@H]2C
InChIInChI=1S/C16H26O3Si/c1-10-13-8-12(9-14(13)18-15(10)17)11(2)19-20(6,7)16(3,4)5/h8,10,13-14H,2,9H2,1,3-7H3/t10-,13-,14-/m0/s1
InChIKeyBGSCFIIZNPGXFP-BPNCWPANSA-N
XLogP4.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,3aS,6aS)-5-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3-methyl-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one?
The IUPAC name of (3S,3aS,6aS)-5-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3-methyl-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one (CID 11808545) is (3S,3aS,6aS)-5-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3-methyl-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for (3S,3aS,6aS)-5-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3-methyl-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one?
The canonical SMILES for (3S,3aS,6aS)-5-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3-methyl-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one is C=C(O[Si](C)(C)C(C)(C)C)C1=C[C@@H]2[C@H](C1)OC(=O)[C@H]2C.
What is the InChIKey of (3S,3aS,6aS)-5-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3-methyl-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one?
The InChIKey is BGSCFIIZNPGXFP-BPNCWPANSA-N. The full InChI is InChI=1S/C16H26O3Si/c1-10-13-8-12(9-14(13)18-15(10)17)11(2)19-20(6,7)16(3,4)5/h8,10,13-14H,2,9H2,1,3-7H3/t10-,13-,14-/m0/s1.
What are the key properties of (3S,3aS,6aS)-5-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3-methyl-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one?
(3S,3aS,6aS)-5-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3-methyl-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one has a molecular weight of 294.47 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aS,6aS)-5-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3-methyl-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 11808545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).