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

C12H22O2Si — CID 12771833

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

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

(1S,2R,6R)-2-ethenyl-6-methyl-3-trimethylsilyloxycyclohex-3-en-1-ol (PubChem CID 12771833) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is (1S,2R,6R)-2-ethenyl-6-methyl-3-trimethylsilyloxycyclohex-3-en-1-ol.

Molecular Properties

Compound Name(1S,2R,6R)-2-ethenyl-6-methyl-3-trimethylsilyloxycyclohex-3-en-1-ol
PubChem CID12771833
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name(1S,2R,6R)-2-ethenyl-6-methyl-3-trimethylsilyloxycyclohex-3-en-1-ol
SMILESC=C[C@H]1C(O[Si](C)(C)C)=CC[C@@H](C)[C@@H]1O
InChIInChI=1S/C12H22O2Si/c1-6-10-11(14-15(3,4)5)8-7-9(2)12(10)13/h6,8-10,12-13H,1,7H2,2-5H3/t9-,10+,12+/m1/s1
InChIKeyZUSRUXZGZWVLFO-SCVCMEIPSA-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

(4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-ol
CID 13523917
(4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-ol
CID 13523918
(3S,4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 13523927
(3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 134993137
(3R,4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 134993187
(3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhepta-1,6-dien-4-ol
CID 60170021
(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopent-3-en-1-ol
CID 60170022
(1S,4R,6R)-4-ethenyl-6-methyl-3-trimethylsilyloxycyclohex-2-en-1-ol
CID 12771827
(1S,2R)-2-ethenyl-3-trimethylsilyloxycyclohex-3-en-1-ol
CID 12771831
(2-Trimethylsilyloxycyclohex-2-en-1-yl)methanol
CID 13148027
(3R,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 13523928
(4-Trimethylsilylcyclohex-2-en-1-yl)methanol
CID 14961483

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6R)-2-ethenyl-6-methyl-3-trimethylsilyloxycyclohex-3-en-1-ol?
The IUPAC name of (1S,2R,6R)-2-ethenyl-6-methyl-3-trimethylsilyloxycyclohex-3-en-1-ol (CID 12771833) is (1S,2R,6R)-2-ethenyl-6-methyl-3-trimethylsilyloxycyclohex-3-en-1-ol.
What is the SMILES notation for (1S,2R,6R)-2-ethenyl-6-methyl-3-trimethylsilyloxycyclohex-3-en-1-ol?
The canonical SMILES for (1S,2R,6R)-2-ethenyl-6-methyl-3-trimethylsilyloxycyclohex-3-en-1-ol is C=C[C@H]1C(O[Si](C)(C)C)=CC[C@@H](C)[C@@H]1O.
What is the InChIKey of (1S,2R,6R)-2-ethenyl-6-methyl-3-trimethylsilyloxycyclohex-3-en-1-ol?
The InChIKey is ZUSRUXZGZWVLFO-SCVCMEIPSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-6-10-11(14-15(3,4)5)8-7-9(2)12(10)13/h6,8-10,12-13H,1,7H2,2-5H3/t9-,10+,12+/m1/s1.
What are the key properties of (1S,2R,6R)-2-ethenyl-6-methyl-3-trimethylsilyloxycyclohex-3-en-1-ol?
(1S,2R,6R)-2-ethenyl-6-methyl-3-trimethylsilyloxycyclohex-3-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,2R,6R)-2-ethenyl-6-methyl-3-trimethylsilyloxycyclohex-3-en-1-ol is sourced from PubChem (CID 12771833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).