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

C9H20O2Si — CID 12705658

IUPACcis-(1R,2R)-1-trimethylsilylcyclohexane-1,2-diol
SMILESC[Si](C)(C)[C@]1(O)CCCC[C@H]1O
InChIInChI=1S/C9H20O2Si/c1-12(2,3)9(11)7-5-4-6-8(9)10/h8,10-11H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyJRLPOENERKAGHC-RKDXNWHRSA-N
MW188.34 g/mol
LogP1.53
Rot. Bonds1

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

cis-(1R,2R)-1-trimethylsilylcyclohexane-1,2-diol (PubChem CID 12705658) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is cis-(1R,2R)-1-trimethylsilylcyclohexane-1,2-diol.

Molecular Properties

Compound Namecis-(1R,2R)-1-trimethylsilylcyclohexane-1,2-diol
PubChem CID12705658
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Namecis-(1R,2R)-1-trimethylsilylcyclohexane-1,2-diol
SMILESC[Si](C)(C)[C@]1(O)CCCC[C@H]1O
InChIInChI=1S/C9H20O2Si/c1-12(2,3)9(11)7-5-4-6-8(9)10/h8,10-11H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyJRLPOENERKAGHC-RKDXNWHRSA-N
XLogP1.53
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 ≤ 51.53
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-(1R,2R)-1-trimethylsilylcyclohexane-1,2-diol?
The IUPAC name of cis-(1R,2R)-1-trimethylsilylcyclohexane-1,2-diol (CID 12705658) is cis-(1R,2R)-1-trimethylsilylcyclohexane-1,2-diol.
What is the SMILES notation for cis-(1R,2R)-1-trimethylsilylcyclohexane-1,2-diol?
The canonical SMILES for cis-(1R,2R)-1-trimethylsilylcyclohexane-1,2-diol is C[Si](C)(C)[C@]1(O)CCCC[C@H]1O.
What is the InChIKey of cis-(1R,2R)-1-trimethylsilylcyclohexane-1,2-diol?
The InChIKey is JRLPOENERKAGHC-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-12(2,3)9(11)7-5-4-6-8(9)10/h8,10-11H,4-7H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of cis-(1R,2R)-1-trimethylsilylcyclohexane-1,2-diol?
cis-(1R,2R)-1-trimethylsilylcyclohexane-1,2-diol has a molecular weight of 188.34 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-1-trimethylsilylcyclohexane-1,2-diol is sourced from PubChem (CID 12705658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).