(1S,2S,3S)-3-[hydroxy(dimethyl)silyl]cyclohex-4-ene-1,2-diol

C8H16O3Si — CID 11830190

IUPAC(1S,2S,3S)-3-[hydroxy(dimethyl)silyl]cyclohex-4-ene-1,2-diol
SMILESC[Si](C)(O)[C@H]1C=CC[C@H](O)[C@@H]1O
InChIInChI=1S/C8H16O3Si/c1-12(2,11)7-5-3-4-6(9)8(7)10/h3,5-11H,4H2,1-2H3/t6-,7-,8-/m0/s1
InChIKeyXUJNRYMWQDHLND-FXQIFTODSA-N
MW188.30 g/mol
LogP0.24
Rot. Bonds1

About (1S,2S,3S)-3-[hydroxy(dimethyl)silyl]cyclohex-4-ene-1,2-diol

(1S,2S,3S)-3-[hydroxy(dimethyl)silyl]cyclohex-4-ene-1,2-diol (PubChem CID 11830190) has the molecular formula C8H16O3Si and a molecular weight of 188.30 g/mol. Its IUPAC name is (1S,2S,3S)-3-[hydroxy(dimethyl)silyl]cyclohex-4-ene-1,2-diol.

Molecular Properties

Compound Name(1S,2S,3S)-3-[hydroxy(dimethyl)silyl]cyclohex-4-ene-1,2-diol
PubChem CID11830190
Molecular FormulaC8H16O3Si
Molecular Weight188.30 g/mol
Exact Mass188.09
IUPAC Name(1S,2S,3S)-3-[hydroxy(dimethyl)silyl]cyclohex-4-ene-1,2-diol
SMILESC[Si](C)(O)[C@H]1C=CC[C@H](O)[C@@H]1O
InChIInChI=1S/C8H16O3Si/c1-12(2,11)7-5-3-4-6(9)8(7)10/h3,5-11H,4H2,1-2H3/t6-,7-,8-/m0/s1
InChIKeyXUJNRYMWQDHLND-FXQIFTODSA-N
XLogP0.24
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
(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
1-Tri(propan-2-yl)silyloxypent-4-en-2-ol
CID 12153136
(1R,6R)-6-trimethylsilylcyclohex-3-en-1-ol
CID 14984250
(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
(E,2R)-1-[tert-butyl(dimethyl)silyl]oxyhept-4-en-2-ol
CID 102380375
(R)-1-(tert-Butyldimethylsilyloxy)docos-4-en-2-ol
CID 124220492

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S)-3-[hydroxy(dimethyl)silyl]cyclohex-4-ene-1,2-diol?
The IUPAC name of (1S,2S,3S)-3-[hydroxy(dimethyl)silyl]cyclohex-4-ene-1,2-diol (CID 11830190) is (1S,2S,3S)-3-[hydroxy(dimethyl)silyl]cyclohex-4-ene-1,2-diol.
What is the SMILES notation for (1S,2S,3S)-3-[hydroxy(dimethyl)silyl]cyclohex-4-ene-1,2-diol?
The canonical SMILES for (1S,2S,3S)-3-[hydroxy(dimethyl)silyl]cyclohex-4-ene-1,2-diol is C[Si](C)(O)[C@H]1C=CC[C@H](O)[C@@H]1O.
What is the InChIKey of (1S,2S,3S)-3-[hydroxy(dimethyl)silyl]cyclohex-4-ene-1,2-diol?
The InChIKey is XUJNRYMWQDHLND-FXQIFTODSA-N. The full InChI is InChI=1S/C8H16O3Si/c1-12(2,11)7-5-3-4-6(9)8(7)10/h3,5-11H,4H2,1-2H3/t6-,7-,8-/m0/s1.
What are the key properties of (1S,2S,3S)-3-[hydroxy(dimethyl)silyl]cyclohex-4-ene-1,2-diol?
(1S,2S,3S)-3-[hydroxy(dimethyl)silyl]cyclohex-4-ene-1,2-diol has a molecular weight of 188.30 g/mol, XLogP of 0.24, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S)-3-[hydroxy(dimethyl)silyl]cyclohex-4-ene-1,2-diol is sourced from PubChem (CID 11830190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).