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

C8H16O3Si — CID 131201512

IUPAC(1R,2R,3R)-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-/m1/s1
InChIKeyXUJNRYMWQDHLND-BWZBUEFSSA-N
MW188.30 g/mol
LogP0.24
Rot. Bonds1

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

(1R,2R,3R)-3-[hydroxy(dimethyl)silyl]cyclohex-4-ene-1,2-diol (PubChem CID 131201512) has the molecular formula C8H16O3Si and a molecular weight of 188.30 g/mol. Its IUPAC name is (1R,2R,3R)-3-[hydroxy(dimethyl)silyl]cyclohex-4-ene-1,2-diol.

Molecular Properties

Compound Name(1R,2R,3R)-3-[hydroxy(dimethyl)silyl]cyclohex-4-ene-1,2-diol
PubChem CID131201512
Molecular FormulaC8H16O3Si
Molecular Weight188.30 g/mol
Exact Mass188.09
IUPAC Name(1R,2R,3R)-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-/m1/s1
InChIKeyXUJNRYMWQDHLND-BWZBUEFSSA-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

(1S,2S)-2-(trimethylsilylmethyl)cyclopent-3-en-1-ol
CID 101146882
(1R,2R)-2-propan-2-ylcyclopent-3-en-1-ol
CID 58878675
3,4-dihydro-2H-pyran-2,3-diol
CID 67747225
5-methylcyclopent-2-en-1-ol
CID 23103323
(1R,5R)-9-oxabicyclo[3.3.1]nona-2,6-diene
CID 11434937
2-thiophen-3-ylcyclopent-3-en-1-ol
CID 75219436
(5R)-6-ethyl-5-methylcyclohex-3-en-1-ol
CID 89393198
3-methylcyclobutene;sulfane
CID 90110313
bicyclo[3.2.1]oct-3-en-6-ol
CID 5314599
(1R,5S,8R)-bicyclo[3.2.1]oct-2-en-8-ol
CID 129413222
6-methyl-1,2,3,6-tetrahydropyridin-2-ol
CID 5256089
(4S,8S,12R)-4,8-dihydroxy-12-methyl-1-oxacyclododeca-5,9-dien-2-one
CID 139585365

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R)-3-[hydroxy(dimethyl)silyl]cyclohex-4-ene-1,2-diol?
The IUPAC name of (1R,2R,3R)-3-[hydroxy(dimethyl)silyl]cyclohex-4-ene-1,2-diol (CID 131201512) is (1R,2R,3R)-3-[hydroxy(dimethyl)silyl]cyclohex-4-ene-1,2-diol.
What is the SMILES notation for (1R,2R,3R)-3-[hydroxy(dimethyl)silyl]cyclohex-4-ene-1,2-diol?
The canonical SMILES for (1R,2R,3R)-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 (1R,2R,3R)-3-[hydroxy(dimethyl)silyl]cyclohex-4-ene-1,2-diol?
The InChIKey is XUJNRYMWQDHLND-BWZBUEFSSA-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-/m1/s1.
What are the key properties of (1R,2R,3R)-3-[hydroxy(dimethyl)silyl]cyclohex-4-ene-1,2-diol?
(1R,2R,3R)-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 (1R,2R,3R)-3-[hydroxy(dimethyl)silyl]cyclohex-4-ene-1,2-diol is sourced from PubChem (CID 131201512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).