ethyl (2R)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-hydroxyacetate

C16H30O4Si — CID 23631401

IUPACethyl (2R)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-hydroxyacetate
SMILESCCOC(=O)[C@H](O)[C@H]1CCCC=C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O4Si/c1-7-19-15(18)14(17)12-10-8-9-11-13(12)20-21(5,6)16(2,3)4/h11-12,14,17H,7-10H2,1-6H3/t12-,14+/m0/s1
InChIKeyKQGNVAVMRBZFPD-GXTWGEPZSA-N
MW314.50 g/mol
LogP3.62
Rot. Bonds5

About ethyl (2R)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-hydroxyacetate

ethyl (2R)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-hydroxyacetate (PubChem CID 23631401) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is ethyl (2R)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl (2R)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-hydroxyacetate
PubChem CID23631401
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Nameethyl (2R)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-hydroxyacetate
SMILESCCOC(=O)[C@H](O)[C@H]1CCCC=C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O4Si/c1-7-19-15(18)14(17)12-10-8-9-11-13(12)20-21(5,6)16(2,3)4/h11-12,14,17H,7-10H2,1-6H3/t12-,14+/m0/s1
InChIKeyKQGNVAVMRBZFPD-GXTWGEPZSA-N
XLogP3.62
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (3R)-3-[(1R)-2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-3-hydroxy-2-oxopropanoate
CID 134940439
methyl (3R)-3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-4-oxopyran-2-yl]heptanoate
CID 166441766
ethyl (2S,6S)-7-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-hydroxy-6-methyl-4-methylideneheptanoate
CID 11247682
methyl (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-4-methylcyclohex-3-ene-1-carboxylate
CID 102399498

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-hydroxyacetate?
The IUPAC name of ethyl (2R)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-hydroxyacetate (CID 23631401) is ethyl (2R)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-hydroxyacetate.
What is the SMILES notation for ethyl (2R)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-hydroxyacetate?
The canonical SMILES for ethyl (2R)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-hydroxyacetate is CCOC(=O)[C@H](O)[C@H]1CCCC=C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2R)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-hydroxyacetate?
The InChIKey is KQGNVAVMRBZFPD-GXTWGEPZSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-7-19-15(18)14(17)12-10-8-9-11-13(12)20-21(5,6)16(2,3)4/h11-12,14,17H,7-10H2,1-6H3/t12-,14+/m0/s1.
What are the key properties of ethyl (2R)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-hydroxyacetate?
ethyl (2R)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-hydroxyacetate has a molecular weight of 314.50 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-hydroxyacetate is sourced from PubChem (CID 23631401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).