(3aR,4S,6aS)-4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

C24H30O3Si — CID 173345544

IUPAC(3aR,4S,6aS)-4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESCC(C)(C)C(O[SiH](c1ccccc1)c1ccccc1)[C@H]1CC[C@@H]2OC(=O)C[C@@H]21
InChIInChI=1S/C24H30O3Si/c1-24(2,3)23(19-14-15-21-20(19)16-22(25)26-21)27-28(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19-21,23,28H,14-16H2,1-3H3/t19-,20+,21-,23?/m0/s1
InChIKeyZCRYUWJYMHNBNL-XXJJDXCVSA-N
MW394.59 g/mol
LogP3.30
Rot. Bonds5

About (3aR,4S,6aS)-4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

(3aR,4S,6aS)-4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (PubChem CID 173345544) has the molecular formula C24H30O3Si and a molecular weight of 394.59 g/mol. Its IUPAC name is (3aR,4S,6aS)-4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3aR,4S,6aS)-4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
PubChem CID173345544
Molecular FormulaC24H30O3Si
Molecular Weight394.59 g/mol
Exact Mass394.20
IUPAC Name(3aR,4S,6aS)-4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESCC(C)(C)C(O[SiH](c1ccccc1)c1ccccc1)[C@H]1CC[C@@H]2OC(=O)C[C@@H]21
InChIInChI=1S/C24H30O3Si/c1-24(2,3)23(19-14-15-21-20(19)16-22(25)26-21)27-28(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19-21,23,28H,14-16H2,1-3H3/t19-,20+,21-,23?/m0/s1
InChIKeyZCRYUWJYMHNBNL-XXJJDXCVSA-N
XLogP3.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.59
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3aR,4S,6aS)-4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The IUPAC name of (3aR,4S,6aS)-4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (CID 173345544) is (3aR,4S,6aS)-4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for (3aR,4S,6aS)-4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The canonical SMILES for (3aR,4S,6aS)-4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is CC(C)(C)C(O[SiH](c1ccccc1)c1ccccc1)[C@H]1CC[C@@H]2OC(=O)C[C@@H]21.
What is the InChIKey of (3aR,4S,6aS)-4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The InChIKey is ZCRYUWJYMHNBNL-XXJJDXCVSA-N. The full InChI is InChI=1S/C24H30O3Si/c1-24(2,3)23(19-14-15-21-20(19)16-22(25)26-21)27-28(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19-21,23,28H,14-16H2,1-3H3/t19-,20+,21-,23?/m0/s1.
What are the key properties of (3aR,4S,6aS)-4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
(3aR,4S,6aS)-4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one has a molecular weight of 394.59 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4S,6aS)-4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 173345544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).