ethyl (1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohex-3-ene-1-carboxylate

C15H28O4Si — CID 46183057

IUPACethyl (1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohex-3-ene-1-carboxylate
SMILESCCOC(=O)[C@H]1CC=C[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O4Si/c1-7-18-14(17)11-9-8-10-12(16)13(11)19-20(5,6)15(2,3)4/h8,10-13,16H,7,9H2,1-6H3/t11-,12+,13+/m0/s1
InChIKeyOSUUTRMNZANZCN-YNEHKIRRSA-N
MW300.47 g/mol
LogP2.88
Rot. Bonds4

About ethyl (1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohex-3-ene-1-carboxylate

ethyl (1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohex-3-ene-1-carboxylate (PubChem CID 46183057) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is ethyl (1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl (1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohex-3-ene-1-carboxylate
PubChem CID46183057
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Nameethyl (1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohex-3-ene-1-carboxylate
SMILESCCOC(=O)[C@H]1CC=C[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O4Si/c1-7-18-14(17)11-9-8-10-12(16)13(11)19-20(5,6)15(2,3)4/h8,10-13,16H,7,9H2,1-6H3/t11-,12+,13+/m0/s1
InChIKeyOSUUTRMNZANZCN-YNEHKIRRSA-N
XLogP2.88
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 ≤ 52.88
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 ethyl (1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohex-3-ene-1-carboxylate?
The IUPAC name of ethyl (1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohex-3-ene-1-carboxylate (CID 46183057) is ethyl (1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohex-3-ene-1-carboxylate.
What is the SMILES notation for ethyl (1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohex-3-ene-1-carboxylate?
The canonical SMILES for ethyl (1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohex-3-ene-1-carboxylate is CCOC(=O)[C@H]1CC=C[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohex-3-ene-1-carboxylate?
The InChIKey is OSUUTRMNZANZCN-YNEHKIRRSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-7-18-14(17)11-9-8-10-12(16)13(11)19-20(5,6)15(2,3)4/h8,10-13,16H,7,9H2,1-6H3/t11-,12+,13+/m0/s1.
What are the key properties of ethyl (1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohex-3-ene-1-carboxylate?
ethyl (1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohex-3-ene-1-carboxylate has a molecular weight of 300.47 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 46183057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).