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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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).