(1S,2S,6S)-2-methyl-6-trimethylsilylcyclohex-3-en-1-ol

C10H20OSi — CID 130944406

IUPAC(1S,2S,6S)-2-methyl-6-trimethylsilylcyclohex-3-en-1-ol
SMILESC[C@H]1C=CC[C@H]([Si](C)(C)C)[C@H]1O
InChIInChI=1S/C10H20OSi/c1-8-6-5-7-9(10(8)11)12(2,3)4/h5-6,8-11H,7H2,1-4H3/t8-,9-,10-/m0/s1
InChIKeyWJNUATIDIITTEO-GUBZILKMSA-N
MW184.35 g/mol
LogP2.65
Rot. Bonds1

About (1S,2S,6S)-2-methyl-6-trimethylsilylcyclohex-3-en-1-ol

(1S,2S,6S)-2-methyl-6-trimethylsilylcyclohex-3-en-1-ol (PubChem CID 130944406) has the molecular formula C10H20OSi and a molecular weight of 184.35 g/mol. Its IUPAC name is (1S,2S,6S)-2-methyl-6-trimethylsilylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name(1S,2S,6S)-2-methyl-6-trimethylsilylcyclohex-3-en-1-ol
PubChem CID130944406
Molecular FormulaC10H20OSi
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name(1S,2S,6S)-2-methyl-6-trimethylsilylcyclohex-3-en-1-ol
SMILESC[C@H]1C=CC[C@H]([Si](C)(C)C)[C@H]1O
InChIInChI=1S/C10H20OSi/c1-8-6-5-7-9(10(8)11)12(2,3)4/h5-6,8-11H,7H2,1-4H3/t8-,9-,10-/m0/s1
InChIKeyWJNUATIDIITTEO-GUBZILKMSA-N
XLogP2.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(1R,6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-ol
CID 10823268
(E)-2-methyl-6-trimethylsilylhex-5-en-3-ol
CID 13263808
tert-butyl-dimethyl-[(1S,6S)-6-prop-2-enylcyclohex-3-en-1-yl]oxysilane
CID 11543369
(1S,2S)-2-methylcyclohex-3-en-1-ol
CID 12882503
(1S,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-ol
CID 58012739
tert-butyl-dimethyl-[(1S,6R)-6-prop-2-enylcyclohex-3-en-1-yl]oxysilane
CID 134979966
[(1R,2R)-2-trimethylsilylcyclohex-3-en-1-yl]methanol
CID 10976178
(3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methylundeca-1,5-diene-4,8-diol
CID 11209176
(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
2-Methyl-4-trimethylsilylhex-5-en-3-ol
CID 12793719
(1R,2R)-2-methylcyclohex-3-en-1-ol
CID 12882501

Frequently Asked Questions

What is the IUPAC name of (1S,2S,6S)-2-methyl-6-trimethylsilylcyclohex-3-en-1-ol?
The IUPAC name of (1S,2S,6S)-2-methyl-6-trimethylsilylcyclohex-3-en-1-ol (CID 130944406) is (1S,2S,6S)-2-methyl-6-trimethylsilylcyclohex-3-en-1-ol.
What is the SMILES notation for (1S,2S,6S)-2-methyl-6-trimethylsilylcyclohex-3-en-1-ol?
The canonical SMILES for (1S,2S,6S)-2-methyl-6-trimethylsilylcyclohex-3-en-1-ol is C[C@H]1C=CC[C@H]([Si](C)(C)C)[C@H]1O.
What is the InChIKey of (1S,2S,6S)-2-methyl-6-trimethylsilylcyclohex-3-en-1-ol?
The InChIKey is WJNUATIDIITTEO-GUBZILKMSA-N. The full InChI is InChI=1S/C10H20OSi/c1-8-6-5-7-9(10(8)11)12(2,3)4/h5-6,8-11H,7H2,1-4H3/t8-,9-,10-/m0/s1.
What are the key properties of (1S,2S,6S)-2-methyl-6-trimethylsilylcyclohex-3-en-1-ol?
(1S,2S,6S)-2-methyl-6-trimethylsilylcyclohex-3-en-1-ol has a molecular weight of 184.35 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6S)-2-methyl-6-trimethylsilylcyclohex-3-en-1-ol is sourced from PubChem (CID 130944406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).