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

C16H30O2Si — CID 71519111

IUPACcis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-3-methylcyclohexan-1-one
SMILESC=C[C@]1(C)CC(=O)CC[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-8-16(5)11-14(17)10-9-13(16)12-18-19(6,7)15(2,3)4/h8,13H,1,9-12H2,2-7H3/t13-,16+/m0/s1
InChIKeyJXNSGZNEGSCZIR-XJKSGUPXSA-N
MW282.50 g/mol
LogP4.57
Rot. Bonds4

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

cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-3-methylcyclohexan-1-one (PubChem CID 71519111) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-3-methylcyclohexan-1-one.

Molecular Properties

Compound Namecis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-3-methylcyclohexan-1-one
PubChem CID71519111
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Namecis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-3-methylcyclohexan-1-one
SMILESC=C[C@]1(C)CC(=O)CC[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-8-16(5)11-14(17)10-9-13(16)12-18-19(6,7)15(2,3)4/h8,13H,1,9-12H2,2-7H3/t13-,16+/m0/s1
InChIKeyJXNSGZNEGSCZIR-XJKSGUPXSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.57
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

(2S,6S)-2,6-dimethyl-1-tri(propan-2-yl)silyloxydec-9-en-5-one
CID 12164695
trans-(2S,3S)-2-(2-bromoprop-2-enyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenylcyclohexan-1-one
CID 146168418
5-Ethenyl-2-methyl-8-tri(propan-2-yl)silyloxyoctan-4-one
CID 155933850
(3aR,7aS)-7a-(3-((tert-butyldimethylsilyl)oxy)propyl)-3,3-dimethyl-3,3a,4,6,7,7a-hexahydro-5H-inden-5-one
CID 162786767
cis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclohexan-1-one
CID 11161862
4-[[Tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenylcyclohexan-1-one
CID 69212138
trans-(3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(E)-5-methylhex-1-enyl]cyclohexan-1-one
CID 71177682
(3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methylcyclohexan-1-one;pent-1-ene
CID 161755720
3-(3-Tert-butyl-11-dimethylsilyloxyundec-1-enyl)cyclohexan-1-one
CID 173336374
3-(3-Tert-butyl-8-dimethylsilyloxyoct-1-enyl)cyclohexan-1-one
CID 173336591
3-(3-Tert-butyl-10-dimethylsilyloxydec-1-enyl)cyclohexan-1-one
CID 173336615
1-[4-[Tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclohexyl]ethanone
CID 173576795

Frequently Asked Questions

What is the IUPAC name of cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-3-methylcyclohexan-1-one?
The IUPAC name of cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-3-methylcyclohexan-1-one (CID 71519111) is cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-3-methylcyclohexan-1-one.
What is the SMILES notation for cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-3-methylcyclohexan-1-one?
The canonical SMILES for cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-3-methylcyclohexan-1-one is C=C[C@]1(C)CC(=O)CC[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-3-methylcyclohexan-1-one?
The InChIKey is JXNSGZNEGSCZIR-XJKSGUPXSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-8-16(5)11-14(17)10-9-13(16)12-18-19(6,7)15(2,3)4/h8,13H,1,9-12H2,2-7H3/t13-,16+/m0/s1.
What are the key properties of cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-3-methylcyclohexan-1-one?
cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-3-methylcyclohexan-1-one has a molecular weight of 282.50 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-3-methylcyclohexan-1-one is sourced from PubChem (CID 71519111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).