(3aR,6aS)-5-[tert-butyl(diphenyl)silyl]oxy-4-ethenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

C25H30O3Si — CID 134849711

IUPAC(3aR,6aS)-5-[tert-butyl(diphenyl)silyl]oxy-4-ethenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESC=CC1C(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]2OC(=O)C[C@H]12
InChIInChI=1S/C25H30O3Si/c1-5-20-21-16-24(26)27-22(21)17-23(20)28-29(25(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h5-15,20-23H,1,16-17H2,2-4H3/t20?,21-,22+,23?/m1/s1
InChIKeyTWSGRFQCGHFJHM-JSPDHQCPSA-N
MW406.60 g/mol
LogP4.07
Rot. Bonds5

About (3aR,6aS)-5-[tert-butyl(diphenyl)silyl]oxy-4-ethenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

(3aR,6aS)-5-[tert-butyl(diphenyl)silyl]oxy-4-ethenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (PubChem CID 134849711) has the molecular formula C25H30O3Si and a molecular weight of 406.60 g/mol. Its IUPAC name is (3aR,6aS)-5-[tert-butyl(diphenyl)silyl]oxy-4-ethenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3aR,6aS)-5-[tert-butyl(diphenyl)silyl]oxy-4-ethenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
PubChem CID134849711
Molecular FormulaC25H30O3Si
Molecular Weight406.60 g/mol
Exact Mass406.20
IUPAC Name(3aR,6aS)-5-[tert-butyl(diphenyl)silyl]oxy-4-ethenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESC=CC1C(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]2OC(=O)C[C@H]12
InChIInChI=1S/C25H30O3Si/c1-5-20-21-16-24(26)27-22(21)17-23(20)28-29(25(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h5-15,20-23H,1,16-17H2,2-4H3/t20?,21-,22+,23?/m1/s1
InChIKeyTWSGRFQCGHFJHM-JSPDHQCPSA-N
XLogP4.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.60
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3aR,6aS)-5-[tert-butyl(diphenyl)silyl]oxy-4-ethenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-[(1R,2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enylcyclopentyl]acetate
CID 134900951
(3aR,4S,5R,6aS)-5-[dimethyl(phenyl)silyl]-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 156722617
(3aR,4S,5S,6aS)-4-((tert-butyldiphenylsilyloxy)methyl)-5-fluorohexahydro-2H-cyclopenta[b]furan-2-one
CID 12073620
4-[[Tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 18769182
(3aR,4R,5S,6aS)-4-[(t-Butyldiphenylsiloxy)methyl]-5-fluorohexahydro-2H-cyclopenta[b]furan-2-one
CID 22951117
(3aR,4R,5S,6aS)-5-fluoro-4-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 70670666
methyl 5-[tert-butyl(diphenyl)silyl]oxy-1-fluoro-3,3a,4,5,6,6a-hexahydro-2H-pentalene-1-carboxylate
CID 166484621
ethyl (1R,3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-fluorocyclopentane-1-carboxylate
CID 169142929
methyl 2-[(1S,2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxycyclopentyl]acetate
CID 18652279
methyl (3R,3aS,6aR)-2,2-ditert-butyl-3-(phenylmethoxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[d]oxasilole-4-carboxylate
CID 10693355
methyl 2-[(1R,2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate
CID 10885702
(3aR,4R,5R,6aS)-5-[tert-butyl(diphenyl)silyl]oxy-4-ethenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 12114444

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-5-[tert-butyl(diphenyl)silyl]oxy-4-ethenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The IUPAC name of (3aR,6aS)-5-[tert-butyl(diphenyl)silyl]oxy-4-ethenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (CID 134849711) is (3aR,6aS)-5-[tert-butyl(diphenyl)silyl]oxy-4-ethenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for (3aR,6aS)-5-[tert-butyl(diphenyl)silyl]oxy-4-ethenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The canonical SMILES for (3aR,6aS)-5-[tert-butyl(diphenyl)silyl]oxy-4-ethenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is C=CC1C(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]2OC(=O)C[C@H]12.
What is the InChIKey of (3aR,6aS)-5-[tert-butyl(diphenyl)silyl]oxy-4-ethenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The InChIKey is TWSGRFQCGHFJHM-JSPDHQCPSA-N. The full InChI is InChI=1S/C25H30O3Si/c1-5-20-21-16-24(26)27-22(21)17-23(20)28-29(25(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h5-15,20-23H,1,16-17H2,2-4H3/t20?,21-,22+,23?/m1/s1.
What are the key properties of (3aR,6aS)-5-[tert-butyl(diphenyl)silyl]oxy-4-ethenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
(3aR,6aS)-5-[tert-butyl(diphenyl)silyl]oxy-4-ethenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one has a molecular weight of 406.60 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-5-[tert-butyl(diphenyl)silyl]oxy-4-ethenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 134849711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).