(1S,4R,6R)-4-ethenyl-6-methyl-3-trimethylsilyloxycyclohex-2-en-1-ol

C12H22O2Si — CID 12771827

IUPAC(1S,4R,6R)-4-ethenyl-6-methyl-3-trimethylsilyloxycyclohex-2-en-1-ol
SMILESC=C[C@H]1C[C@@H](C)[C@H](O)C=C1O[Si](C)(C)C
InChIInChI=1S/C12H22O2Si/c1-6-10-7-9(2)11(13)8-12(10)14-15(3,4)5/h6,8-11,13H,1,7H2,2-5H3/t9-,10+,11-/m1/s1
InChIKeyDKNOXYNUPBINLA-OUAUKWLOSA-N
MW226.39 g/mol
LogP2.92
Rot. Bonds3

About (1S,4R,6R)-4-ethenyl-6-methyl-3-trimethylsilyloxycyclohex-2-en-1-ol

(1S,4R,6R)-4-ethenyl-6-methyl-3-trimethylsilyloxycyclohex-2-en-1-ol (PubChem CID 12771827) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is (1S,4R,6R)-4-ethenyl-6-methyl-3-trimethylsilyloxycyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1S,4R,6R)-4-ethenyl-6-methyl-3-trimethylsilyloxycyclohex-2-en-1-ol
PubChem CID12771827
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name(1S,4R,6R)-4-ethenyl-6-methyl-3-trimethylsilyloxycyclohex-2-en-1-ol
SMILESC=C[C@H]1C[C@@H](C)[C@H](O)C=C1O[Si](C)(C)C
InChIInChI=1S/C12H22O2Si/c1-6-10-7-9(2)11(13)8-12(10)14-15(3,4)5/h6,8-11,13H,1,7H2,2-5H3/t9-,10+,11-/m1/s1
InChIKeyDKNOXYNUPBINLA-OUAUKWLOSA-N
XLogP2.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
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

(1S,2R)-2-ethenyl-3-trimethylsilyloxycyclohex-3-en-1-ol
CID 12771831
(1S,2R,6R)-2-ethenyl-6-methyl-3-trimethylsilyloxycyclohex-3-en-1-ol
CID 12771833
(4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-1-en-3-ol
CID 16006964
(1S,4R)-4-ethenyl-1-methyl-3-trimethylsilyloxycyclohex-2-en-1-ol
CID 125508156
[(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methanol
CID 134859641
(3E,8R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-1,3-dien-5-ol
CID 134979330
(3E,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethylnona-1,3-dien-5-ol
CID 134979331
[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-fluoroethyl)cyclohexen-1-yl]methanol
CID 10779745
(1R,4R,5S)-5-(tert-Butyldimethylsilyloxy)-4-(tert-butyldimethylsilyloxymethyl)-cyclohex-2-en-1-ol
CID 10714360
4-(Hydroxymethyl)-5-methylcyclohex-2-en-1-ol
CID 14635278
(E,2S,3S,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-6-ene-1,5-diol
CID 59891947
(2R,3S,4S,5R)-2,4-dimethyl-3-(tert-butyldimethylsilyloxy)oct-6-en-1,5-diol
CID 86585096

Frequently Asked Questions

What is the IUPAC name of (1S,4R,6R)-4-ethenyl-6-methyl-3-trimethylsilyloxycyclohex-2-en-1-ol?
The IUPAC name of (1S,4R,6R)-4-ethenyl-6-methyl-3-trimethylsilyloxycyclohex-2-en-1-ol (CID 12771827) is (1S,4R,6R)-4-ethenyl-6-methyl-3-trimethylsilyloxycyclohex-2-en-1-ol.
What is the SMILES notation for (1S,4R,6R)-4-ethenyl-6-methyl-3-trimethylsilyloxycyclohex-2-en-1-ol?
The canonical SMILES for (1S,4R,6R)-4-ethenyl-6-methyl-3-trimethylsilyloxycyclohex-2-en-1-ol is C=C[C@H]1C[C@@H](C)[C@H](O)C=C1O[Si](C)(C)C.
What is the InChIKey of (1S,4R,6R)-4-ethenyl-6-methyl-3-trimethylsilyloxycyclohex-2-en-1-ol?
The InChIKey is DKNOXYNUPBINLA-OUAUKWLOSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-6-10-7-9(2)11(13)8-12(10)14-15(3,4)5/h6,8-11,13H,1,7H2,2-5H3/t9-,10+,11-/m1/s1.
What are the key properties of (1S,4R,6R)-4-ethenyl-6-methyl-3-trimethylsilyloxycyclohex-2-en-1-ol?
(1S,4R,6R)-4-ethenyl-6-methyl-3-trimethylsilyloxycyclohex-2-en-1-ol has a molecular weight of 226.39 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,6R)-4-ethenyl-6-methyl-3-trimethylsilyloxycyclohex-2-en-1-ol is sourced from PubChem (CID 12771827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).