(1R,2R,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxy-1-methylbicyclo[3.1.0]hexane-6-carboxylic acid

C14H25FO4Si — CID 67057487

IUPAC(1R,2R,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxy-1-methylbicyclo[3.1.0]hexane-6-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](O)[C@@H]2[C@@]1(C)[C@@]2(F)C(=O)O
InChIInChI=1S/C14H25FO4Si/c1-12(2,3)20(5,6)19-9-7-8(16)10-13(9,4)14(10,15)11(17)18/h8-10,16H,7H2,1-6H3,(H,17,18)/t8-,9+,10+,13-,14-/m0/s1
InChIKeyHRBNBHZQFNDRQG-IUWMTURJSA-N
MW304.43 g/mol
LogP2.57
Rot. Bonds3

About (1R,2R,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxy-1-methylbicyclo[3.1.0]hexane-6-carboxylic acid

(1R,2R,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxy-1-methylbicyclo[3.1.0]hexane-6-carboxylic acid (PubChem CID 67057487) has the molecular formula C14H25FO4Si and a molecular weight of 304.43 g/mol. Its IUPAC name is (1R,2R,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxy-1-methylbicyclo[3.1.0]hexane-6-carboxylic acid.

Molecular Properties

Compound Name(1R,2R,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxy-1-methylbicyclo[3.1.0]hexane-6-carboxylic acid
PubChem CID67057487
Molecular FormulaC14H25FO4Si
Molecular Weight304.43 g/mol
Exact Mass304.15
IUPAC Name(1R,2R,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxy-1-methylbicyclo[3.1.0]hexane-6-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](O)[C@@H]2[C@@]1(C)[C@@]2(F)C(=O)O
InChIInChI=1S/C14H25FO4Si/c1-12(2,3)20(5,6)19-9-7-8(16)10-13(9,4)14(10,15)11(17)18/h8-10,16H,7H2,1-6H3,(H,17,18)/t8-,9+,10+,13-,14-/m0/s1
InChIKeyHRBNBHZQFNDRQG-IUWMTURJSA-N
XLogP2.57
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,2R,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxy-1-methylbicyclo[3.1.0]hexane-6-carboxylic acid with MolForge

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Related Compounds

Methyl(1R,2R,4S,5S,6R)-2-{[tert-butyl(dimethyl)silyl]oxy}-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate
CID 11681051
(1R,2R,4S,5S,6R)-6-fluoro-2,4-dihydroxy-1-methylbicyclo[3.1.0]hexane-6-carboxylic acid
CID 67024366
(1R,2R,4S,5S,6R)-2-acetyloxy-6-fluoro-4-hydroxy-1-methylbicyclo[3.1.0]hexane-6-carboxylic acid
CID 67024408
(1R,2R,5S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-1-methyl-4-oxobicyclo[3.1.0]hexane-6-carboxylic acid
CID 68498551
methyl (1S,2R,4S,5R,6S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate
CID 11666392
(1S,2R,4S,5R,6S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-1-methylbicyclo[3.1.0]hexane-6-carboxylic acid
CID 68496161
methyl 2-[(1R,2R,4S,5S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-bicyclo[3.1.0]hexanyl]acetate
CID 71196139

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxy-1-methylbicyclo[3.1.0]hexane-6-carboxylic acid?
The IUPAC name of (1R,2R,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxy-1-methylbicyclo[3.1.0]hexane-6-carboxylic acid (CID 67057487) is (1R,2R,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxy-1-methylbicyclo[3.1.0]hexane-6-carboxylic acid.
What is the SMILES notation for (1R,2R,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxy-1-methylbicyclo[3.1.0]hexane-6-carboxylic acid?
The canonical SMILES for (1R,2R,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxy-1-methylbicyclo[3.1.0]hexane-6-carboxylic acid is CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](O)[C@@H]2[C@@]1(C)[C@@]2(F)C(=O)O.
What is the InChIKey of (1R,2R,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxy-1-methylbicyclo[3.1.0]hexane-6-carboxylic acid?
The InChIKey is HRBNBHZQFNDRQG-IUWMTURJSA-N. The full InChI is InChI=1S/C14H25FO4Si/c1-12(2,3)20(5,6)19-9-7-8(16)10-13(9,4)14(10,15)11(17)18/h8-10,16H,7H2,1-6H3,(H,17,18)/t8-,9+,10+,13-,14-/m0/s1.
What are the key properties of (1R,2R,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxy-1-methylbicyclo[3.1.0]hexane-6-carboxylic acid?
(1R,2R,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxy-1-methylbicyclo[3.1.0]hexane-6-carboxylic acid has a molecular weight of 304.43 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxy-1-methylbicyclo[3.1.0]hexane-6-carboxylic acid is sourced from PubChem (CID 67057487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).