trans-(2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-6-prop-2-enylcyclohexan-1-one

C17H30O2Si — CID 102011598

IUPACtrans-(2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-6-prop-2-enylcyclohexan-1-one
SMILESC=CC[C@H]1CCC[C@@](C=C)(O[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C17H30O2Si/c1-8-11-14-12-10-13-17(9-2,15(14)18)19-20(6,7)16(3,4)5/h8-9,14H,1-2,10-13H2,3-7H3/t14-,17+/m0/s1
InChIKeyICYCXEQNRWFZOF-WMLDXEAASA-N
MW294.51 g/mol
LogP4.88
Rot. Bonds5

About trans-(2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-6-prop-2-enylcyclohexan-1-one

trans-(2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-6-prop-2-enylcyclohexan-1-one (PubChem CID 102011598) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is trans-(2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-6-prop-2-enylcyclohexan-1-one.

Molecular Properties

Compound Nametrans-(2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-6-prop-2-enylcyclohexan-1-one
PubChem CID102011598
Molecular FormulaC17H30O2Si
Molecular Weight294.51 g/mol
Exact Mass294.20
IUPAC Nametrans-(2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-6-prop-2-enylcyclohexan-1-one
SMILESC=CC[C@H]1CCC[C@@](C=C)(O[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C17H30O2Si/c1-8-11-14-12-10-13-17(9-2,15(14)18)19-20(6,7)16(3,4)5/h8-9,14H,1-2,10-13H2,3-7H3/t14-,17+/m0/s1
InChIKeyICYCXEQNRWFZOF-WMLDXEAASA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.88
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'}

Analyze trans-(2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-6-prop-2-enylcyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-6-prop-2-enylcyclohexan-1-one?
The IUPAC name of trans-(2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-6-prop-2-enylcyclohexan-1-one (CID 102011598) is trans-(2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-6-prop-2-enylcyclohexan-1-one.
What is the SMILES notation for trans-(2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-6-prop-2-enylcyclohexan-1-one?
The canonical SMILES for trans-(2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-6-prop-2-enylcyclohexan-1-one is C=CC[C@H]1CCC[C@@](C=C)(O[Si](C)(C)C(C)(C)C)C1=O.
What is the InChIKey of trans-(2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-6-prop-2-enylcyclohexan-1-one?
The InChIKey is ICYCXEQNRWFZOF-WMLDXEAASA-N. The full InChI is InChI=1S/C17H30O2Si/c1-8-11-14-12-10-13-17(9-2,15(14)18)19-20(6,7)16(3,4)5/h8-9,14H,1-2,10-13H2,3-7H3/t14-,17+/m0/s1.
What are the key properties of trans-(2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-6-prop-2-enylcyclohexan-1-one?
trans-(2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-6-prop-2-enylcyclohexan-1-one has a molecular weight of 294.51 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-6-prop-2-enylcyclohexan-1-one is sourced from PubChem (CID 102011598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).