ethyl (1R,2R,6S)-6-acetyloxy-2-methoxy-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate

C15H26O6Si — CID 10882097

IUPACethyl (1R,2R,6S)-6-acetyloxy-2-methoxy-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
SMILESCCOC(=O)[C@@H]1[C@@H](OC(C)=O)CC(O[Si](C)(C)C)=C[C@H]1OC
InChIInChI=1S/C15H26O6Si/c1-7-19-15(17)14-12(18-3)8-11(21-22(4,5)6)9-13(14)20-10(2)16/h8,12-14H,7,9H2,1-6H3/t12-,13+,14+/m1/s1
InChIKeyZMJUJZNUYMUBNC-RDBSUJKOSA-N
MW330.45 g/mol
LogP2.25
Rot. Bonds6

About ethyl (1R,2R,6S)-6-acetyloxy-2-methoxy-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate

ethyl (1R,2R,6S)-6-acetyloxy-2-methoxy-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate (PubChem CID 10882097) has the molecular formula C15H26O6Si and a molecular weight of 330.45 g/mol. Its IUPAC name is ethyl (1R,2R,6S)-6-acetyloxy-2-methoxy-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl (1R,2R,6S)-6-acetyloxy-2-methoxy-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
PubChem CID10882097
Molecular FormulaC15H26O6Si
Molecular Weight330.45 g/mol
Exact Mass330.15
IUPAC Nameethyl (1R,2R,6S)-6-acetyloxy-2-methoxy-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
SMILESCCOC(=O)[C@@H]1[C@@H](OC(C)=O)CC(O[Si](C)(C)C)=C[C@H]1OC
InChIInChI=1S/C15H26O6Si/c1-7-19-15(17)14-12(18-3)8-11(21-22(4,5)6)9-13(14)20-10(2)16/h8,12-14H,7,9H2,1-6H3/t12-,13+,14+/m1/s1
InChIKeyZMJUJZNUYMUBNC-RDBSUJKOSA-N
XLogP2.25
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (1R,2R,6S)-6-acetyloxy-2-methoxy-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The IUPAC name of ethyl (1R,2R,6S)-6-acetyloxy-2-methoxy-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate (CID 10882097) is ethyl (1R,2R,6S)-6-acetyloxy-2-methoxy-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate.
What is the SMILES notation for ethyl (1R,2R,6S)-6-acetyloxy-2-methoxy-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The canonical SMILES for ethyl (1R,2R,6S)-6-acetyloxy-2-methoxy-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate is CCOC(=O)[C@@H]1[C@@H](OC(C)=O)CC(O[Si](C)(C)C)=C[C@H]1OC.
What is the InChIKey of ethyl (1R,2R,6S)-6-acetyloxy-2-methoxy-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The InChIKey is ZMJUJZNUYMUBNC-RDBSUJKOSA-N. The full InChI is InChI=1S/C15H26O6Si/c1-7-19-15(17)14-12(18-3)8-11(21-22(4,5)6)9-13(14)20-10(2)16/h8,12-14H,7,9H2,1-6H3/t12-,13+,14+/m1/s1.
What are the key properties of ethyl (1R,2R,6S)-6-acetyloxy-2-methoxy-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
ethyl (1R,2R,6S)-6-acetyloxy-2-methoxy-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate has a molecular weight of 330.45 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,2R,6S)-6-acetyloxy-2-methoxy-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 10882097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).