cis-(1S,3R)-2-trimethylsilylcyclohexane-1,3-diol

C9H20O2Si — CID 10899414

IUPACcis-(1S,3R)-2-trimethylsilylcyclohexane-1,3-diol
SMILESC[Si](C)(C)C1[C@H](O)CCC[C@@H]1O
InChIInChI=1S/C9H20O2Si/c1-12(2,3)9-7(10)5-4-6-8(9)11/h7-11H,4-6H2,1-3H3/t7-,8+,9?
InChIKeyLESWGNRFAMHIFP-JVHMLUBASA-N
MW188.34 g/mol
LogP1.60
Rot. Bonds1

About cis-(1S,3R)-2-trimethylsilylcyclohexane-1,3-diol

cis-(1S,3R)-2-trimethylsilylcyclohexane-1,3-diol (PubChem CID 10899414) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is cis-(1S,3R)-2-trimethylsilylcyclohexane-1,3-diol.

Molecular Properties

Compound Namecis-(1S,3R)-2-trimethylsilylcyclohexane-1,3-diol
PubChem CID10899414
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Namecis-(1S,3R)-2-trimethylsilylcyclohexane-1,3-diol
SMILESC[Si](C)(C)C1[C@H](O)CCC[C@@H]1O
InChIInChI=1S/C9H20O2Si/c1-12(2,3)9-7(10)5-4-6-8(9)11/h7-11H,4-6H2,1-3H3/t7-,8+,9?
InChIKeyLESWGNRFAMHIFP-JVHMLUBASA-N
XLogP1.60
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,6R)-7-oxabicyclo[4.1.0]heptan-2-ol
CID 10996994
(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-ol
CID 98116091
cis-(1S,2R)-2-methylcyclopentan-1-ol
CID 642631
trans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol
CID 121492980
(1R)-2-(2-trimethylsilylethynyl)cyclopentan-1-ol
CID 59467082
(1R,4aR,5S,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,5-diol
CID 11907324
(1R,2R,3R)-2-prop-2-enyl-3-trimethylsilylcyclohexan-1-ol
CID 10998343
ethane;2-methylcyclohexan-1-ol;2-methylcyclopentan-1-ol
CID 157029785
(2S)-2,3-dimethylcyclohexan-1-ol
CID 163715322
trans-(1S,2S)-cyclooctane-1,2-diol
CID 7273013
cycloundecane-1,2-diol
CID 67185134
cyclobutanol;cyclopropanol
CID 175019048

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-2-trimethylsilylcyclohexane-1,3-diol?
The IUPAC name of cis-(1S,3R)-2-trimethylsilylcyclohexane-1,3-diol (CID 10899414) is cis-(1S,3R)-2-trimethylsilylcyclohexane-1,3-diol.
What is the SMILES notation for cis-(1S,3R)-2-trimethylsilylcyclohexane-1,3-diol?
The canonical SMILES for cis-(1S,3R)-2-trimethylsilylcyclohexane-1,3-diol is C[Si](C)(C)C1[C@H](O)CCC[C@@H]1O.
What is the InChIKey of cis-(1S,3R)-2-trimethylsilylcyclohexane-1,3-diol?
The InChIKey is LESWGNRFAMHIFP-JVHMLUBASA-N. The full InChI is InChI=1S/C9H20O2Si/c1-12(2,3)9-7(10)5-4-6-8(9)11/h7-11H,4-6H2,1-3H3/t7-,8+,9?.
What are the key properties of cis-(1S,3R)-2-trimethylsilylcyclohexane-1,3-diol?
cis-(1S,3R)-2-trimethylsilylcyclohexane-1,3-diol has a molecular weight of 188.34 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-2-trimethylsilylcyclohexane-1,3-diol is sourced from PubChem (CID 10899414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).