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

C14H26O4Si — CID 173302315

IUPAC(3aR,4R,5R,6aS)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESC[SiH](C)OC([C@@H]1[C@H]2CC(=O)O[C@H]2C[C@H]1O)C(C)(C)C
InChIInChI=1S/C14H26O4Si/c1-14(2,3)13(18-19(4)5)12-8-6-11(16)17-10(8)7-9(12)15/h8-10,12-13,15,19H,6-7H2,1-5H3/t8-,9+,10-,12+,13?/m0/s1
InChIKeyCVOPNAKZNRQVGM-IMWQVOMJSA-N
MW286.44 g/mol
LogP1.71
Rot. Bonds3

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

(3aR,4R,5R,6aS)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (PubChem CID 173302315) has the molecular formula C14H26O4Si and a molecular weight of 286.44 g/mol. Its IUPAC name is (3aR,4R,5R,6aS)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3aR,4R,5R,6aS)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
PubChem CID173302315
Molecular FormulaC14H26O4Si
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Name(3aR,4R,5R,6aS)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESC[SiH](C)OC([C@@H]1[C@H]2CC(=O)O[C@H]2C[C@H]1O)C(C)(C)C
InChIInChI=1S/C14H26O4Si/c1-14(2,3)13(18-19(4)5)12-8-6-11(16)17-10(8)7-9(12)15/h8-10,12-13,15,19H,6-7H2,1-5H3/t8-,9+,10-,12+,13?/m0/s1
InChIKeyCVOPNAKZNRQVGM-IMWQVOMJSA-N
XLogP1.71
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3aR,4R,5R,6aS)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one with MolForge

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Related Compounds

[(3aR,4R,5R,6aS)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate
CID 173302415
(3aR,4R,5R,6aS)-4-[(1R)-4-tert-butyl-1-dimethylsilyloxy-5,5-difluorooctyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 123266005
6-(1-dimethylsilyloxy-2,2-dimethylpropyl)bicyclo[3.1.0]hexan-2-ol
CID 173134931
3-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclobutan-1-one
CID 173464738
(3aS,4R,5S,6aS)-5-hydroxy-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 98113714
(3aS,4R,5S,6aR)-5-hydroxy-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 11084331
(4R,5S)-5-hydroxy-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 12940653
2-(1-dimethylsilyloxy-2,2-dimethylpropyl)oxan-4-one
CID 173174133
(3aS,4S,5S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 10573641
CID 88960710
CID 88960710
(3aR,4R,5R,6aS)-5-hydroxy-4-(3-oxobut-1-enyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 68741703
2-[(3aR)-5-hydroxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]acetic acid
CID 163470983

Frequently Asked Questions

What is the IUPAC name of (3aR,4R,5R,6aS)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The IUPAC name of (3aR,4R,5R,6aS)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (CID 173302315) is (3aR,4R,5R,6aS)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for (3aR,4R,5R,6aS)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The canonical SMILES for (3aR,4R,5R,6aS)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is C[SiH](C)OC([C@@H]1[C@H]2CC(=O)O[C@H]2C[C@H]1O)C(C)(C)C.
What is the InChIKey of (3aR,4R,5R,6aS)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The InChIKey is CVOPNAKZNRQVGM-IMWQVOMJSA-N. The full InChI is InChI=1S/C14H26O4Si/c1-14(2,3)13(18-19(4)5)12-8-6-11(16)17-10(8)7-9(12)15/h8-10,12-13,15,19H,6-7H2,1-5H3/t8-,9+,10-,12+,13?/m0/s1.
What are the key properties of (3aR,4R,5R,6aS)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
(3aR,4R,5R,6aS)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one has a molecular weight of 286.44 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,5R,6aS)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 173302315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).