(4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenylcyclohex-2-en-1-one

C14H24O2Si — CID 10658492

IUPAC(4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenylcyclohex-2-en-1-one
SMILESC=C[C@@H]1CC(=O)C=C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H24O2Si/c1-7-11-10-12(15)8-9-13(11)16-17(5,6)14(2,3)4/h7-9,11,13H,1,10H2,2-6H3/t11-,13-/m1/s1
InChIKeyLVJRTOCXOPBSLQ-DGCLKSJQSA-N
MW252.43 g/mol
LogP3.71
Rot. Bonds3

About (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenylcyclohex-2-en-1-one

(4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenylcyclohex-2-en-1-one (PubChem CID 10658492) has the molecular formula C14H24O2Si and a molecular weight of 252.43 g/mol. Its IUPAC name is (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenylcyclohex-2-en-1-one
PubChem CID10658492
Molecular FormulaC14H24O2Si
Molecular Weight252.43 g/mol
Exact Mass252.15
IUPAC Name(4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenylcyclohex-2-en-1-one
SMILESC=C[C@@H]1CC(=O)C=C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H24O2Si/c1-7-11-10-12(15)8-9-13(11)16-17(5,6)14(2,3)4/h7-9,11,13H,1,10H2,2-6H3/t11-,13-/m1/s1
InChIKeyLVJRTOCXOPBSLQ-DGCLKSJQSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenylcyclohex-2-en-1-one?
The IUPAC name of (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenylcyclohex-2-en-1-one (CID 10658492) is (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenylcyclohex-2-en-1-one.
What is the SMILES notation for (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenylcyclohex-2-en-1-one?
The canonical SMILES for (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenylcyclohex-2-en-1-one is C=C[C@@H]1CC(=O)C=C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenylcyclohex-2-en-1-one?
The InChIKey is LVJRTOCXOPBSLQ-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H24O2Si/c1-7-11-10-12(15)8-9-13(11)16-17(5,6)14(2,3)4/h7-9,11,13H,1,10H2,2-6H3/t11-,13-/m1/s1.
What are the key properties of (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenylcyclohex-2-en-1-one?
(4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenylcyclohex-2-en-1-one has a molecular weight of 252.43 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenylcyclohex-2-en-1-one is sourced from PubChem (CID 10658492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).