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

C15H24O3Si — CID 11022321

IUPAC(3aR,6aS)-5-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one
SMILESC=C(O[Si](C)(C)C(C)(C)C)C1=C[C@H]2CC(=O)O[C@H]2C1
InChIInChI=1S/C15H24O3Si/c1-10(18-19(5,6)15(2,3)4)11-7-12-9-14(16)17-13(12)8-11/h7,12-13H,1,8-9H2,2-6H3/t12-,13-/m0/s1
InChIKeyHXWHSPUZFQSWOC-STQMWFEESA-N
MW280.44 g/mol
LogP3.78
Rot. Bonds3

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

(3aR,6aS)-5-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one (PubChem CID 11022321) has the molecular formula C15H24O3Si and a molecular weight of 280.44 g/mol. Its IUPAC name is (3aR,6aS)-5-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3aR,6aS)-5-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one
PubChem CID11022321
Molecular FormulaC15H24O3Si
Molecular Weight280.44 g/mol
Exact Mass280.15
IUPAC Name(3aR,6aS)-5-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one
SMILESC=C(O[Si](C)(C)C(C)(C)C)C1=C[C@H]2CC(=O)O[C@H]2C1
InChIInChI=1S/C15H24O3Si/c1-10(18-19(5,6)15(2,3)4)11-7-12-9-14(16)17-13(12)8-11/h7,12-13H,1,8-9H2,2-6H3/t12-,13-/m0/s1
InChIKeyHXWHSPUZFQSWOC-STQMWFEESA-N
XLogP3.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.78
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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Related Compounds

ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-[(2S,3E,5E)-2-methylhepta-3,5-dienyl]cyclopent-2-ene-1-carboxylate
CID 134840297
(3aS,7R,7aS)-7-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-6-methylidene-3,3a,7,7a-tetrahydro-1-benzofuran-2-one
CID 89293785
(4S)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-1-enyl]-4-[(3E)-3-methylhexa-3,5-dienyl]oxolan-2-one
CID 140810758
(4S,5S)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-1-enyl]-4-[(3E)-3-methylhexa-3,5-dienyl]oxolan-2-one
CID 173624699
(3R,3aS,6aS)-5-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3-methyl-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one
CID 11087699
(5S)-5-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enyl]oxolan-2-one
CID 11208377
(3S,3aS,6aS)-5-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3-methyl-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one
CID 11808545
(3aR,7S,7aR)-4-ethenyl-7-trimethylsilyl-3a,6,7,7a-tetrahydro-3H-1-benzofuran-2-one
CID 12162606
methyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-[(2S,3Z,5E)-2-methylhepta-3,5-dienyl]cyclopent-2-ene-1-carboxylate
CID 49831683
5-[1-[Tert-butyl(dimethyl)silyl]oxyethenyl]-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one
CID 85370053
(3aS,6aR)-5-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one
CID 102023331
(3aS,6E,10E,11aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
CID 177463388

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-5-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one?
The IUPAC name of (3aR,6aS)-5-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one (CID 11022321) is (3aR,6aS)-5-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for (3aR,6aS)-5-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one?
The canonical SMILES for (3aR,6aS)-5-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one is C=C(O[Si](C)(C)C(C)(C)C)C1=C[C@H]2CC(=O)O[C@H]2C1.
What is the InChIKey of (3aR,6aS)-5-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one?
The InChIKey is HXWHSPUZFQSWOC-STQMWFEESA-N. The full InChI is InChI=1S/C15H24O3Si/c1-10(18-19(5,6)15(2,3)4)11-7-12-9-14(16)17-13(12)8-11/h7,12-13H,1,8-9H2,2-6H3/t12-,13-/m0/s1.
What are the key properties of (3aR,6aS)-5-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one?
(3aR,6aS)-5-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one has a molecular weight of 280.44 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-5-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 11022321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).