trans-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylcyclohexan-1-one

C15H28O2Si — CID 11507286

IUPACtrans-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylcyclohexan-1-one
SMILESC=C[C@@]1(C)CC(=O)CC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-8-15(5)11-12(16)9-10-13(15)17-18(6,7)14(2,3)4/h8,13H,1,9-11H2,2-7H3/t13-,15-/m0/s1
InChIKeyKNEYSXWFSPTECK-ZFWWWQNUSA-N
MW268.47 g/mol
LogP4.32
Rot. Bonds3

About trans-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylcyclohexan-1-one

trans-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylcyclohexan-1-one (PubChem CID 11507286) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is trans-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylcyclohexan-1-one.

Molecular Properties

Compound Nametrans-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylcyclohexan-1-one
PubChem CID11507286
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Nametrans-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylcyclohexan-1-one
SMILESC=C[C@@]1(C)CC(=O)CC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-8-15(5)11-12(16)9-10-13(15)17-18(6,7)14(2,3)4/h8,13H,1,9-11H2,2-7H3/t13-,15-/m0/s1
InChIKeyKNEYSXWFSPTECK-ZFWWWQNUSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.32
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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Related Compounds

trans-(2Z,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-2-(methoxymethylidene)-3-methylcyclohexan-1-one
CID 53260830
cis-(3R,4R)-3-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one
CID 134939454
trans-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1,2-dimethyl-6-oxocyclohexane-1-carbaldehyde
CID 134944202
cis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclohexan-1-one
CID 11161862
(3R,4R)-3-[1-(Trimethylsilyl)ethenyl]-4-[(trimethylsilyl)oxy]cyclohexan-1-one
CID 71394790
trans-(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylcyclohexan-1-one
CID 101589883
trans-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylcyclohexan-1-one
CID 101589884
trans-(2E,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-2-(methoxymethylidene)-3-methylcyclohexan-1-one
CID 101799614
(3r,4s)-4-((t-Butyldimethylsilyl)oxy)-3-((z)-prop-1-en-1-yl)cyclohexan-1-one
CID 155928143
cis-(3R,4R)-3-methyl-3-[(E)-2-tributylstannylethenyl]-4-triethylsilyloxycyclohexan-1-one
CID 177582545

Frequently Asked Questions

What is the IUPAC name of trans-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylcyclohexan-1-one?
The IUPAC name of trans-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylcyclohexan-1-one (CID 11507286) is trans-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylcyclohexan-1-one.
What is the SMILES notation for trans-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylcyclohexan-1-one?
The canonical SMILES for trans-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylcyclohexan-1-one is C=C[C@@]1(C)CC(=O)CC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of trans-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylcyclohexan-1-one?
The InChIKey is KNEYSXWFSPTECK-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-8-15(5)11-12(16)9-10-13(15)17-18(6,7)14(2,3)4/h8,13H,1,9-11H2,2-7H3/t13-,15-/m0/s1.
What are the key properties of trans-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylcyclohexan-1-one?
trans-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylcyclohexan-1-one has a molecular weight of 268.47 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylcyclohexan-1-one is sourced from PubChem (CID 11507286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).