trans-(1S,3S)-2-trimethylsilylcyclohexane-1,2,3-triol

C9H20O3Si — CID 10954683

IUPACtrans-(1S,3S)-2-trimethylsilylcyclohexane-1,2,3-triol
SMILESC[Si](C)(C)C1(O)[C@@H](O)CCC[C@@H]1O
InChIInChI=1S/C9H20O3Si/c1-13(2,3)9(12)7(10)5-4-6-8(9)11/h7-8,10-12H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyNZUPNTUIYQGGIE-YUMQZZPRSA-N
MW204.34 g/mol
LogP0.50
Rot. Bonds1

About trans-(1S,3S)-2-trimethylsilylcyclohexane-1,2,3-triol

trans-(1S,3S)-2-trimethylsilylcyclohexane-1,2,3-triol (PubChem CID 10954683) has the molecular formula C9H20O3Si and a molecular weight of 204.34 g/mol. Its IUPAC name is trans-(1S,3S)-2-trimethylsilylcyclohexane-1,2,3-triol.

Molecular Properties

Compound Nametrans-(1S,3S)-2-trimethylsilylcyclohexane-1,2,3-triol
PubChem CID10954683
Molecular FormulaC9H20O3Si
Molecular Weight204.34 g/mol
Exact Mass204.12
IUPAC Nametrans-(1S,3S)-2-trimethylsilylcyclohexane-1,2,3-triol
SMILESC[Si](C)(C)C1(O)[C@@H](O)CCC[C@@H]1O
InChIInChI=1S/C9H20O3Si/c1-13(2,3)9(12)7(10)5-4-6-8(9)11/h7-8,10-12H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyNZUPNTUIYQGGIE-YUMQZZPRSA-N
XLogP0.50
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze trans-(1S,3S)-2-trimethylsilylcyclohexane-1,2,3-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-trimethylsilylcyclopentane-1,2-diol
CID 78128825
2-(aminomethyl)-2-(trimethylsilylmethyl)cyclopentan-1-ol
CID 130514766
cyclopentane-1,1,2-triol
CID 19830380
1,2,3,4,5,6,7,7a-octahydroindene-3a,4-diol
CID 13396648
1-methylbicyclo[4.1.0]heptan-2-ol
CID 130123042
cis-(1S,3R)-2-trimethylsilylcyclohexane-1,3-diol
CID 10899414
trans-(1S,2S)-1-tert-butylcyclohexane-1,2-diol
CID 11969728
trans-(1S,2S)-1-propan-2-ylcyclopentane-1,2-diol
CID 130874578
2,2-dimethylcyclohexan-1-ol
CID 557637
(1R,2R,6S,7R,11R)-6-methoxytricyclo[5.4.0.02,6]undecane-1,11-diol
CID 139053854
(1R,8bR)-2,3,4,4a-tetrahydro-1H-biphenylene-1,8b-diol
CID 130927469
cyclobutanol;cyclopropanol
CID 175019048

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-2-trimethylsilylcyclohexane-1,2,3-triol?
The IUPAC name of trans-(1S,3S)-2-trimethylsilylcyclohexane-1,2,3-triol (CID 10954683) is trans-(1S,3S)-2-trimethylsilylcyclohexane-1,2,3-triol.
What is the SMILES notation for trans-(1S,3S)-2-trimethylsilylcyclohexane-1,2,3-triol?
The canonical SMILES for trans-(1S,3S)-2-trimethylsilylcyclohexane-1,2,3-triol is C[Si](C)(C)C1(O)[C@@H](O)CCC[C@@H]1O.
What is the InChIKey of trans-(1S,3S)-2-trimethylsilylcyclohexane-1,2,3-triol?
The InChIKey is NZUPNTUIYQGGIE-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H20O3Si/c1-13(2,3)9(12)7(10)5-4-6-8(9)11/h7-8,10-12H,4-6H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of trans-(1S,3S)-2-trimethylsilylcyclohexane-1,2,3-triol?
trans-(1S,3S)-2-trimethylsilylcyclohexane-1,2,3-triol has a molecular weight of 204.34 g/mol, XLogP of 0.50, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-2-trimethylsilylcyclohexane-1,2,3-triol is sourced from PubChem (CID 10954683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).