methyl (2R)-2-[(1R,3S,5R)-5-acetyloxy-3-hydroxy-2-methylidenecyclohexyl]-2-[tert-butyl(dimethyl)silyl]oxyacetate

C18H32O6Si — CID 11280216

IUPACmethyl (2R)-2-[(1R,3S,5R)-5-acetyloxy-3-hydroxy-2-methylidenecyclohexyl]-2-[tert-butyl(dimethyl)silyl]oxyacetate
SMILESC=C1[C@H]([C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC)C[C@@H](OC(C)=O)C[C@@H]1O
InChIInChI=1S/C18H32O6Si/c1-11-14(9-13(10-15(11)20)23-12(2)19)16(17(21)22-6)24-25(7,8)18(3,4)5/h13-16,20H,1,9-10H2,2-8H3/t13-,14-,15+,16-/m1/s1
InChIKeyHWKSDMWJDDSAKL-LVQVYYBASA-N
MW372.53 g/mol
LogP2.81
Rot. Bonds5

About methyl (2R)-2-[(1R,3S,5R)-5-acetyloxy-3-hydroxy-2-methylidenecyclohexyl]-2-[tert-butyl(dimethyl)silyl]oxyacetate

methyl (2R)-2-[(1R,3S,5R)-5-acetyloxy-3-hydroxy-2-methylidenecyclohexyl]-2-[tert-butyl(dimethyl)silyl]oxyacetate (PubChem CID 11280216) has the molecular formula C18H32O6Si and a molecular weight of 372.53 g/mol. Its IUPAC name is methyl (2R)-2-[(1R,3S,5R)-5-acetyloxy-3-hydroxy-2-methylidenecyclohexyl]-2-[tert-butyl(dimethyl)silyl]oxyacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[(1R,3S,5R)-5-acetyloxy-3-hydroxy-2-methylidenecyclohexyl]-2-[tert-butyl(dimethyl)silyl]oxyacetate
PubChem CID11280216
Molecular FormulaC18H32O6Si
Molecular Weight372.53 g/mol
Exact Mass372.20
IUPAC Namemethyl (2R)-2-[(1R,3S,5R)-5-acetyloxy-3-hydroxy-2-methylidenecyclohexyl]-2-[tert-butyl(dimethyl)silyl]oxyacetate
SMILESC=C1[C@H]([C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC)C[C@@H](OC(C)=O)C[C@@H]1O
InChIInChI=1S/C18H32O6Si/c1-11-14(9-13(10-15(11)20)23-12(2)19)16(17(21)22-6)24-25(7,8)18(3,4)5/h13-16,20H,1,9-10H2,2-8H3/t13-,14-,15+,16-/m1/s1
InChIKeyHWKSDMWJDDSAKL-LVQVYYBASA-N
XLogP2.81
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl (2R)-2-[(1R,3S,5R)-5-acetyloxy-3-hydroxy-2-methylidenecyclohexyl]-2-[tert-butyl(dimethyl)silyl]oxyacetate 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 (2R)-2-[(1R,3S,5R)-5-acetyloxy-3-hydroxy-2-methylidenecyclohexyl]-2-[tert-butyl(dimethyl)silyl]oxyacetate?
The IUPAC name of methyl (2R)-2-[(1R,3S,5R)-5-acetyloxy-3-hydroxy-2-methylidenecyclohexyl]-2-[tert-butyl(dimethyl)silyl]oxyacetate (CID 11280216) is methyl (2R)-2-[(1R,3S,5R)-5-acetyloxy-3-hydroxy-2-methylidenecyclohexyl]-2-[tert-butyl(dimethyl)silyl]oxyacetate.
What is the SMILES notation for methyl (2R)-2-[(1R,3S,5R)-5-acetyloxy-3-hydroxy-2-methylidenecyclohexyl]-2-[tert-butyl(dimethyl)silyl]oxyacetate?
The canonical SMILES for methyl (2R)-2-[(1R,3S,5R)-5-acetyloxy-3-hydroxy-2-methylidenecyclohexyl]-2-[tert-butyl(dimethyl)silyl]oxyacetate is C=C1[C@H]([C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC)C[C@@H](OC(C)=O)C[C@@H]1O.
What is the InChIKey of methyl (2R)-2-[(1R,3S,5R)-5-acetyloxy-3-hydroxy-2-methylidenecyclohexyl]-2-[tert-butyl(dimethyl)silyl]oxyacetate?
The InChIKey is HWKSDMWJDDSAKL-LVQVYYBASA-N. The full InChI is InChI=1S/C18H32O6Si/c1-11-14(9-13(10-15(11)20)23-12(2)19)16(17(21)22-6)24-25(7,8)18(3,4)5/h13-16,20H,1,9-10H2,2-8H3/t13-,14-,15+,16-/m1/s1.
What are the key properties of methyl (2R)-2-[(1R,3S,5R)-5-acetyloxy-3-hydroxy-2-methylidenecyclohexyl]-2-[tert-butyl(dimethyl)silyl]oxyacetate?
methyl (2R)-2-[(1R,3S,5R)-5-acetyloxy-3-hydroxy-2-methylidenecyclohexyl]-2-[tert-butyl(dimethyl)silyl]oxyacetate has a molecular weight of 372.53 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(1R,3S,5R)-5-acetyloxy-3-hydroxy-2-methylidenecyclohexyl]-2-[tert-butyl(dimethyl)silyl]oxyacetate is sourced from PubChem (CID 11280216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).