3-trimethylsilylcyclohex-4-ene-1,2-diol

C9H18O2Si — CID 85279853

IUPAC3-trimethylsilylcyclohex-4-ene-1,2-diol
SMILESC[Si](C)(C)C1C=CCC(O)C1O
InChIInChI=1S/C9H18O2Si/c1-12(2,3)8-6-4-5-7(10)9(8)11/h4,6-11H,5H2,1-3H3
InChIKeyMJPAEZSCKKZRBA-UHFFFAOYSA-N
MW186.33 g/mol
LogP1.38
Rot. Bonds1

About 3-trimethylsilylcyclohex-4-ene-1,2-diol

3-trimethylsilylcyclohex-4-ene-1,2-diol (PubChem CID 85279853) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is 3-trimethylsilylcyclohex-4-ene-1,2-diol.

Molecular Properties

Compound Name3-trimethylsilylcyclohex-4-ene-1,2-diol
PubChem CID85279853
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Name3-trimethylsilylcyclohex-4-ene-1,2-diol
SMILESC[Si](C)(C)C1C=CCC(O)C1O
InChIInChI=1S/C9H18O2Si/c1-12(2,3)8-6-4-5-7(10)9(8)11/h4,6-11H,5H2,1-3H3
InChIKeyMJPAEZSCKKZRBA-UHFFFAOYSA-N
XLogP1.38
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
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

(1R,6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-ol
CID 10823268
(1S,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
CID 53483241
(1S,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-ol
CID 58012739
(2R)-2-triethylsilyloxypent-4-en-1-ol
CID 11378941
(1S,2S,3S)-3-[hydroxy(dimethyl)silyl]cyclohex-4-ene-1,2-diol
CID 11830190
1-Tri(propan-2-yl)silyloxypent-4-en-2-ol
CID 12153136
(1R,6R)-6-trimethylsilylcyclohex-3-en-1-ol
CID 14984250
(1R,6R)-3-methyl-6-trimethylsilylcyclohex-3-en-1-ol
CID 14984252
(1S,5R,6S)-5-methyl-6-trimethylsilylcyclohex-3-en-1-ol
CID 14984254
(2S,4Z,7Z)-2-[tert-butyl(dimethyl)silyl]oxydeca-4,7-dien-1-ol
CID 23661055
Trimethylsilyl-2-octene-7-ol
CID 72727162
(Z,4S,5R)-4-trimethylsilylnon-2-en-5-ol
CID 101513168

Frequently Asked Questions

What is the IUPAC name of 3-trimethylsilylcyclohex-4-ene-1,2-diol?
The IUPAC name of 3-trimethylsilylcyclohex-4-ene-1,2-diol (CID 85279853) is 3-trimethylsilylcyclohex-4-ene-1,2-diol.
What is the SMILES notation for 3-trimethylsilylcyclohex-4-ene-1,2-diol?
The canonical SMILES for 3-trimethylsilylcyclohex-4-ene-1,2-diol is C[Si](C)(C)C1C=CCC(O)C1O.
What is the InChIKey of 3-trimethylsilylcyclohex-4-ene-1,2-diol?
The InChIKey is MJPAEZSCKKZRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-12(2,3)8-6-4-5-7(10)9(8)11/h4,6-11H,5H2,1-3H3.
What are the key properties of 3-trimethylsilylcyclohex-4-ene-1,2-diol?
3-trimethylsilylcyclohex-4-ene-1,2-diol has a molecular weight of 186.33 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilylcyclohex-4-ene-1,2-diol is sourced from PubChem (CID 85279853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).