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

C11H20O2Si — CID 12771831

IUPAC(1S,2R)-2-ethenyl-3-trimethylsilyloxycyclohex-3-en-1-ol
SMILESC=C[C@H]1C(O[Si](C)(C)C)=CCC[C@@H]1O
InChIInChI=1S/C11H20O2Si/c1-5-9-10(12)7-6-8-11(9)13-14(2,3)4/h5,8-10,12H,1,6-7H2,2-4H3/t9-,10+/m1/s1
InChIKeyLHIKAQPBMILFRY-ZJUUUORDSA-N
MW212.36 g/mol
LogP2.68
Rot. Bonds3

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

(1S,2R)-2-ethenyl-3-trimethylsilyloxycyclohex-3-en-1-ol (PubChem CID 12771831) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is (1S,2R)-2-ethenyl-3-trimethylsilyloxycyclohex-3-en-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-ethenyl-3-trimethylsilyloxycyclohex-3-en-1-ol
PubChem CID12771831
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name(1S,2R)-2-ethenyl-3-trimethylsilyloxycyclohex-3-en-1-ol
SMILESC=C[C@H]1C(O[Si](C)(C)C)=CCC[C@@H]1O
InChIInChI=1S/C11H20O2Si/c1-5-9-10(12)7-6-8-11(9)13-14(2,3)4/h5,8-10,12H,1,6-7H2,2-4H3/t9-,10+/m1/s1
InChIKeyLHIKAQPBMILFRY-ZJUUUORDSA-N
XLogP2.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.68
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,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 10999289
(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopent-3-en-1-ol
CID 60170022
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-1-ol
CID 10800361
(2S,3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol
CID 10868990
(2S,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol
CID 10967188
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol
CID 11276618
(2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol
CID 11747297
(2R,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol
CID 11747298
(1S,4R,6R)-4-ethenyl-6-methyl-3-trimethylsilyloxycyclohex-2-en-1-ol
CID 12771827
(1S,2R,6R)-2-ethenyl-6-methyl-3-trimethylsilyloxycyclohex-3-en-1-ol
CID 12771833

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-ethenyl-3-trimethylsilyloxycyclohex-3-en-1-ol?
The IUPAC name of (1S,2R)-2-ethenyl-3-trimethylsilyloxycyclohex-3-en-1-ol (CID 12771831) is (1S,2R)-2-ethenyl-3-trimethylsilyloxycyclohex-3-en-1-ol.
What is the SMILES notation for (1S,2R)-2-ethenyl-3-trimethylsilyloxycyclohex-3-en-1-ol?
The canonical SMILES for (1S,2R)-2-ethenyl-3-trimethylsilyloxycyclohex-3-en-1-ol is C=C[C@H]1C(O[Si](C)(C)C)=CCC[C@@H]1O.
What is the InChIKey of (1S,2R)-2-ethenyl-3-trimethylsilyloxycyclohex-3-en-1-ol?
The InChIKey is LHIKAQPBMILFRY-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-5-9-10(12)7-6-8-11(9)13-14(2,3)4/h5,8-10,12H,1,6-7H2,2-4H3/t9-,10+/m1/s1.
What are the key properties of (1S,2R)-2-ethenyl-3-trimethylsilyloxycyclohex-3-en-1-ol?
(1S,2R)-2-ethenyl-3-trimethylsilyloxycyclohex-3-en-1-ol has a molecular weight of 212.36 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-ethenyl-3-trimethylsilyloxycyclohex-3-en-1-ol is sourced from PubChem (CID 12771831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).