(3aR,4S,5R,6aR)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

C19H38O4Si2 — CID 11176665

IUPAC(3aR,4S,5R,6aR)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1[C@@H]2CC(=O)O[C@@H]2C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O4Si2/c1-18(2,3)24(7,8)22-15-12-14-13(11-16(20)21-14)17(15)23-25(9,10)19(4,5)6/h13-15,17H,11-12H2,1-10H3/t13-,14-,15-,17+/m1/s1
InChIKeyHJCIZDLBHCEROG-ANQUJSFKSA-N
MW386.68 g/mol
LogP5.10
Rot. Bonds4

About (3aR,4S,5R,6aR)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

(3aR,4S,5R,6aR)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (PubChem CID 11176665) has the molecular formula C19H38O4Si2 and a molecular weight of 386.68 g/mol. Its IUPAC name is (3aR,4S,5R,6aR)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3aR,4S,5R,6aR)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
PubChem CID11176665
Molecular FormulaC19H38O4Si2
Molecular Weight386.68 g/mol
Exact Mass386.23
IUPAC Name(3aR,4S,5R,6aR)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1[C@@H]2CC(=O)O[C@@H]2C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O4Si2/c1-18(2,3)24(7,8)22-15-12-14-13(11-16(20)21-14)17(15)23-25(9,10)19(4,5)6/h13-15,17H,11-12H2,1-10H3/t13-,14-,15-,17+/m1/s1
InChIKeyHJCIZDLBHCEROG-ANQUJSFKSA-N
XLogP5.10
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.68
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3aR,4S,5R,6aR)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one with MolForge

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Related Compounds

(3aS,4R,6R,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-6-methyl-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 11161980
(3S,3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxyoctyl]-3-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 56628355
(3aS,4S,5S,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooctyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 56975593
(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-ynyl]-3-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 69963594
(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-ynyl]-3,3-difluoro-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one
CID 69963653
(3R,3aS,4S,5S,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxyoctyl]-3-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 70430627
5-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one
CID 150422568
(3AR,4S,5R,6AS)-5-((Tert-butyldimethylsilyl)oxy)-4-(((tert-butyldimethylsilyl)oxy)methyl)hexahydro-2H-cyclopenta[B]furan-2-one
CID 11795287
(1R,4S,5S,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-oxabicyclo[2.2.1]heptan-3-one
CID 10981587
(3aR,4S,5R,6aS)-5-trimethylsilyloxy-4-(trimethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 13690082
(3aR,4S,5R,6aS)-5-triethylsilyloxy-4-(triethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 14216160
(3aS,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 25213394

Frequently Asked Questions

What is the IUPAC name of (3aR,4S,5R,6aR)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The IUPAC name of (3aR,4S,5R,6aR)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (CID 11176665) is (3aR,4S,5R,6aR)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for (3aR,4S,5R,6aR)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The canonical SMILES for (3aR,4S,5R,6aR)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is CC(C)(C)[Si](C)(C)O[C@H]1[C@@H]2CC(=O)O[C@@H]2C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3aR,4S,5R,6aR)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The InChIKey is HJCIZDLBHCEROG-ANQUJSFKSA-N. The full InChI is InChI=1S/C19H38O4Si2/c1-18(2,3)24(7,8)22-15-12-14-13(11-16(20)21-14)17(15)23-25(9,10)19(4,5)6/h13-15,17H,11-12H2,1-10H3/t13-,14-,15-,17+/m1/s1.
What are the key properties of (3aR,4S,5R,6aR)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
(3aR,4S,5R,6aR)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one has a molecular weight of 386.68 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4S,5R,6aR)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 11176665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).