(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-hexahydro-2H-cyclopenta[b]furan-2-ol

C27H55FO4Si2 — CID 56611219

IUPAC(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-hexahydro-2H-cyclopenta[b]furan-2-ol
SMILESCCCCCC(CC[C@@H]1[C@@H]2[C@H](C[C@H]1O[Si](C)(C)C(C)(C)C)OC(O)[C@H]2F)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H55FO4Si2/c1-12-13-14-15-19(31-33(8,9)26(2,3)4)16-17-20-21(32-34(10,11)27(5,6)7)18-22-23(20)24(28)25(29)30-22/h19-25,29H,12-18H2,1-11H3/t19?,20-,21+,22-,23+,24-,25?/m0/s1
InChIKeySMAOPKLYVQCZIN-IXVJJMCCSA-N
MW518.90 g/mol
LogP7.82
Rot. Bonds11

About (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-hexahydro-2H-cyclopenta[b]furan-2-ol

(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-hexahydro-2H-cyclopenta[b]furan-2-ol (PubChem CID 56611219) has the molecular formula C27H55FO4Si2 and a molecular weight of 518.90 g/mol. Its IUPAC name is (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-hexahydro-2H-cyclopenta[b]furan-2-ol.

Molecular Properties

Compound Name(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-hexahydro-2H-cyclopenta[b]furan-2-ol
PubChem CID56611219
Molecular FormulaC27H55FO4Si2
Molecular Weight518.90 g/mol
Exact Mass518.36
IUPAC Name(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-hexahydro-2H-cyclopenta[b]furan-2-ol
SMILESCCCCCC(CC[C@@H]1[C@@H]2[C@H](C[C@H]1O[Si](C)(C)C(C)(C)C)OC(O)[C@H]2F)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H55FO4Si2/c1-12-13-14-15-19(31-33(8,9)26(2,3)4)16-17-20-21(32-34(10,11)27(5,6)7)18-22-23(20)24(28)25(29)30-22/h19-25,29H,12-18H2,1-11H3/t19?,20-,21+,22-,23+,24-,25?/m0/s1
InChIKeySMAOPKLYVQCZIN-IXVJJMCCSA-N
XLogP7.82
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.90
LogP ≤ 57.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (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-hexahydro-2H-cyclopenta[b]furan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ayp8H968BK
CID 15003124
4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorooctyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 18426958
(2R,3aR,4R,5R,6aS)-4-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorooctyl]-5-[(2S)-oxan-2-yl]oxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 18651929
[4-fluoro-1-(2-hydroxy-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium
CID 20672763
(3S,3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooctyl]-3-fluoro-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 57315307
(3aR,4R,5R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorodecyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 59910727
(4R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorodecyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 59958166
(2R,4R,5R,6aS)-4-[(5R,7S)-5-tert-butyl-4,4-difluoro-7,8-dimethyl-16-silyloxyhexadecan-8-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol
CID 123587519
(3aR,5R,6R,6aS)-6-methoxy-5-tri(propan-2-yl)silyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 15214096
(3aR,5R,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol
CID 134958798
(3aR,4S,5R,6aS)-4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-ynyl]-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol
CID 138981138
1-[2-[(3aR,4R,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]ethyl]cyclopropan-1-ol
CID 164674792

Frequently Asked Questions

What is the IUPAC name of (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-hexahydro-2H-cyclopenta[b]furan-2-ol?
The IUPAC name of (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-hexahydro-2H-cyclopenta[b]furan-2-ol (CID 56611219) is (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-hexahydro-2H-cyclopenta[b]furan-2-ol.
What is the SMILES notation for (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-hexahydro-2H-cyclopenta[b]furan-2-ol?
The canonical SMILES for (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-hexahydro-2H-cyclopenta[b]furan-2-ol is CCCCCC(CC[C@@H]1[C@@H]2[C@H](C[C@H]1O[Si](C)(C)C(C)(C)C)OC(O)[C@H]2F)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (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-hexahydro-2H-cyclopenta[b]furan-2-ol?
The InChIKey is SMAOPKLYVQCZIN-IXVJJMCCSA-N. The full InChI is InChI=1S/C27H55FO4Si2/c1-12-13-14-15-19(31-33(8,9)26(2,3)4)16-17-20-21(32-34(10,11)27(5,6)7)18-22-23(20)24(28)25(29)30-22/h19-25,29H,12-18H2,1-11H3/t19?,20-,21+,22-,23+,24-,25?/m0/s1.
What are the key properties of (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-hexahydro-2H-cyclopenta[b]furan-2-ol?
(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-hexahydro-2H-cyclopenta[b]furan-2-ol has a molecular weight of 518.90 g/mol, XLogP of 7.82, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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-hexahydro-2H-cyclopenta[b]furan-2-ol is sourced from PubChem (CID 56611219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).