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

C14H26O4Si — CID 11666392

IUPACmethyl (1S,2R,4S,5R,6S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate
SMILESCOC(=O)[C@@H]1[C@@H]2[C@H]1[C@@H](O)C[C@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O4Si/c1-14(2,3)19(5,6)18-9-7-8(15)10-11(9)12(10)13(16)17-4/h8-12,15H,7H2,1-6H3/t8-,9+,10+,11-,12-/m0/s1
InChIKeyXJHASZBAUYUFDQ-KNZXXDILSA-N
MW286.44 g/mol
LogP2.18
Rot. Bonds3

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

methyl (1S,2R,4S,5R,6S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate (PubChem CID 11666392) has the molecular formula C14H26O4Si and a molecular weight of 286.44 g/mol. Its IUPAC name is methyl (1S,2R,4S,5R,6S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate.

Molecular Properties

Compound Namemethyl (1S,2R,4S,5R,6S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate
PubChem CID11666392
Molecular FormulaC14H26O4Si
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Namemethyl (1S,2R,4S,5R,6S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate
SMILESCOC(=O)[C@@H]1[C@@H]2[C@H]1[C@@H](O)C[C@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O4Si/c1-14(2,3)19(5,6)18-9-7-8(15)10-11(9)12(10)13(16)17-4/h8-12,15H,7H2,1-6H3/t8-,9+,10+,11-,12-/m0/s1
InChIKeyXJHASZBAUYUFDQ-KNZXXDILSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (1S,2R,4S,5R,6S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate?
The IUPAC name of methyl (1S,2R,4S,5R,6S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate (CID 11666392) is methyl (1S,2R,4S,5R,6S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate.
What is the SMILES notation for methyl (1S,2R,4S,5R,6S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate?
The canonical SMILES for methyl (1S,2R,4S,5R,6S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate is COC(=O)[C@@H]1[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 (1S,2R,4S,5R,6S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate?
The InChIKey is XJHASZBAUYUFDQ-KNZXXDILSA-N. The full InChI is InChI=1S/C14H26O4Si/c1-14(2,3)19(5,6)18-9-7-8(15)10-11(9)12(10)13(16)17-4/h8-12,15H,7H2,1-6H3/t8-,9+,10+,11-,12-/m0/s1.
What are the key properties of methyl (1S,2R,4S,5R,6S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate?
methyl (1S,2R,4S,5R,6S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate has a molecular weight of 286.44 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,2R,4S,5R,6S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate is sourced from PubChem (CID 11666392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).