(3aR,4S,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,5-dione

C24H28O4Si — CID 134878229

IUPAC(3aR,4S,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,5-dione
SMILESCC(C)(C)[Si](OC[C@H]1C(=O)C[C@@H]2OC(=O)C[C@@H]21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28O4Si/c1-24(2,3)29(17-10-6-4-7-11-17,18-12-8-5-9-13-18)27-16-20-19-14-23(26)28-22(19)15-21(20)25/h4-13,19-20,22H,14-16H2,1-3H3/t19-,20-,22+/m1/s1
InChIKeyKBNMQQLVMCGQQY-SJBKTWHCSA-N
MW408.57 g/mol
LogP3.08
Rot. Bonds5

About (3aR,4S,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,5-dione

(3aR,4S,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,5-dione (PubChem CID 134878229) has the molecular formula C24H28O4Si and a molecular weight of 408.57 g/mol. Its IUPAC name is (3aR,4S,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,5-dione.

Molecular Properties

Compound Name(3aR,4S,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,5-dione
PubChem CID134878229
Molecular FormulaC24H28O4Si
Molecular Weight408.57 g/mol
Exact Mass408.18
IUPAC Name(3aR,4S,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,5-dione
SMILESCC(C)(C)[Si](OC[C@H]1C(=O)C[C@@H]2OC(=O)C[C@@H]21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28O4Si/c1-24(2,3)29(17-10-6-4-7-11-17,18-12-8-5-9-13-18)27-16-20-19-14-23(26)28-22(19)15-21(20)25/h4-13,19-20,22H,14-16H2,1-3H3/t19-,20-,22+/m1/s1
InChIKeyKBNMQQLVMCGQQY-SJBKTWHCSA-N
XLogP3.08
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3aR,4S,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,5-dione with MolForge

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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
dimethyl 2-[(1S,4S,7R)-5-oxo-3-phenylselanyl-2-oxabicyclo[2.2.1]heptan-7-yl]propanedioate
CID 11090588
[(1S,2R,5S,7R,9R,10S,14R,15S,19S)-15-[tert-butyl(diphenyl)silyl]oxy-19-ethyl-14-methyl-13,21-dioxo-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-dien-7-yl] 2,2-dimethylpropanoate
CID 11115264
(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
(3aR,4S,5R,6aS)-5-[tert-butyl(diphenyl)silyl]oxy-4-ethenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 12114445
(2S,3aR,6aS)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6a-methyl-3,3a,4,6-tetrahydro-2H-cyclopenta[b]furan-5-one
CID 23631220
methyl (3aR,6R,6aS)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxo-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3a-carboxylate
CID 24894963

Frequently Asked Questions

What is the IUPAC name of (3aR,4S,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,5-dione?
The IUPAC name of (3aR,4S,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,5-dione (CID 134878229) is (3aR,4S,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,5-dione.
What is the SMILES notation for (3aR,4S,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,5-dione?
The canonical SMILES for (3aR,4S,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,5-dione is CC(C)(C)[Si](OC[C@H]1C(=O)C[C@@H]2OC(=O)C[C@@H]21)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3aR,4S,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,5-dione?
The InChIKey is KBNMQQLVMCGQQY-SJBKTWHCSA-N. The full InChI is InChI=1S/C24H28O4Si/c1-24(2,3)29(17-10-6-4-7-11-17,18-12-8-5-9-13-18)27-16-20-19-14-23(26)28-22(19)15-21(20)25/h4-13,19-20,22H,14-16H2,1-3H3/t19-,20-,22+/m1/s1.
What are the key properties of (3aR,4S,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,5-dione?
(3aR,4S,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,5-dione has a molecular weight of 408.57 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4S,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,5-dione is sourced from PubChem (CID 134878229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).