methyl (1R,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxycyclohex-3-ene-1-carboxylate

C15H28O4Si — CID 11087915

IUPACmethyl (1R,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxycyclohex-3-ene-1-carboxylate
SMILESCOC(=O)[C@@H]1C[C@H](O)C=C[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O4Si/c1-15(2,3)20(5,6)19-10-11-7-8-12(16)9-13(11)14(17)18-4/h7-8,11-13,16H,9-10H2,1-6H3/t11-,12-,13-/m1/s1
InChIKeyZWUSBXVRRPNXLP-JHJVBQTASA-N
MW300.47 g/mol
LogP2.73
Rot. Bonds4

About methyl (1R,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxycyclohex-3-ene-1-carboxylate

methyl (1R,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxycyclohex-3-ene-1-carboxylate (PubChem CID 11087915) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is methyl (1R,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxycyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxycyclohex-3-ene-1-carboxylate
PubChem CID11087915
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Namemethyl (1R,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxycyclohex-3-ene-1-carboxylate
SMILESCOC(=O)[C@@H]1C[C@H](O)C=C[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O4Si/c1-15(2,3)20(5,6)19-10-11-7-8-12(16)9-13(11)14(17)18-4/h7-8,11-13,16H,9-10H2,1-6H3/t11-,12-,13-/m1/s1
InChIKeyZWUSBXVRRPNXLP-JHJVBQTASA-N
XLogP2.73
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (1R,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxycyclohex-3-ene-1-carboxylate?
The IUPAC name of methyl (1R,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxycyclohex-3-ene-1-carboxylate (CID 11087915) is methyl (1R,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxycyclohex-3-ene-1-carboxylate.
What is the SMILES notation for methyl (1R,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxycyclohex-3-ene-1-carboxylate?
The canonical SMILES for methyl (1R,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxycyclohex-3-ene-1-carboxylate is COC(=O)[C@@H]1C[C@H](O)C=C[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (1R,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxycyclohex-3-ene-1-carboxylate?
The InChIKey is ZWUSBXVRRPNXLP-JHJVBQTASA-N. The full InChI is InChI=1S/C15H28O4Si/c1-15(2,3)20(5,6)19-10-11-7-8-12(16)9-13(11)14(17)18-4/h7-8,11-13,16H,9-10H2,1-6H3/t11-,12-,13-/m1/s1.
What are the key properties of methyl (1R,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxycyclohex-3-ene-1-carboxylate?
methyl (1R,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxycyclohex-3-ene-1-carboxylate has a molecular weight of 300.47 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxycyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 11087915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).