methyl (1R,2R,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate

About methyl (1R,2R,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate

methyl (1R,2R,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate (PubChem CID 11681051) has the molecular formula C14H25FO4Si and a molecular weight of 304.43 g/mol. Its IUPAC name is methyl (1R,2R,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate.

Molecular Properties

Compound Name	methyl (1R,2R,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate
PubChem CID	11681051
Molecular Formula	C14H25FO4Si
Molecular Weight	304.43 g/mol
Exact Mass	304.15
IUPAC Name	methyl (1R,2R,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate
SMILES	COC(=O)[C@]1(F)[C@@H]2[C@H]1[C@@H](O)C[C@H]2O[Si](C)(C)C(C)(C)C
InChI	InChI=1S/C14H25FO4Si/c1-13(2,3)20(5,6)19-9-7-8(16)10-11(9)14(10,15)12(17)18-4/h8-11,16H,7H2,1-6H3/t8-,9+,10+,11-,14+/m0/s1
InChIKey	IIYYXRLUVHRNTG-FPFACLPRSA-N
XLogP	2.27
TPSA	55.76 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.43
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2R,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate?

The IUPAC name of methyl (1R,2R,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate (CID 11681051) is methyl (1R,2R,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate.

What is the SMILES notation for methyl (1R,2R,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate?

The canonical SMILES for methyl (1R,2R,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate is COC(=O)[C@]1(F)[C@@H]2[C@H]1[C@@H](O)C[C@H]2O[Si](C)(C)C(C)(C)C.

What is the InChIKey of methyl (1R,2R,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate?

The InChIKey is IIYYXRLUVHRNTG-FPFACLPRSA-N. The full InChI is InChI=1S/C14H25FO4Si/c1-13(2,3)20(5,6)19-9-7-8(16)10-11(9)14(10,15)12(17)18-4/h8-11,16H,7H2,1-6H3/t8-,9+,10+,11-,14+/m0/s1.

What are the key properties of methyl (1R,2R,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate?

methyl (1R,2R,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate has a molecular weight of 304.43 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (1R,2R,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate is sourced from PubChem (CID 11681051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).