cis-(1R,2R)-2-methyl-1-trimethylsilylcyclohexan-1-ol

C10H22OSi — CID 13024088

IUPACcis-(1R,2R)-2-methyl-1-trimethylsilylcyclohexan-1-ol
SMILESC[C@@H]1CCCC[C@@]1(O)[Si](C)(C)C
InChIInChI=1S/C10H22OSi/c1-9-7-5-6-8-10(9,11)12(2,3)4/h9,11H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKeyCGXFXIXWOAYTFY-NXEZZACHSA-N
MW186.37 g/mol
LogP2.81
Rot. Bonds1

About cis-(1R,2R)-2-methyl-1-trimethylsilylcyclohexan-1-ol

cis-(1R,2R)-2-methyl-1-trimethylsilylcyclohexan-1-ol (PubChem CID 13024088) has the molecular formula C10H22OSi and a molecular weight of 186.37 g/mol. Its IUPAC name is cis-(1R,2R)-2-methyl-1-trimethylsilylcyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-2-methyl-1-trimethylsilylcyclohexan-1-ol
PubChem CID13024088
Molecular FormulaC10H22OSi
Molecular Weight186.37 g/mol
Exact Mass186.14
IUPAC Namecis-(1R,2R)-2-methyl-1-trimethylsilylcyclohexan-1-ol
SMILESC[C@@H]1CCCC[C@@]1(O)[Si](C)(C)C
InChIInChI=1S/C10H22OSi/c1-9-7-5-6-8-10(9,11)12(2,3)4/h9,11H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKeyCGXFXIXWOAYTFY-NXEZZACHSA-N
XLogP2.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-2-methyl-1-trimethylsilylcyclohexan-1-ol?
The IUPAC name of cis-(1R,2R)-2-methyl-1-trimethylsilylcyclohexan-1-ol (CID 13024088) is cis-(1R,2R)-2-methyl-1-trimethylsilylcyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2R)-2-methyl-1-trimethylsilylcyclohexan-1-ol?
The canonical SMILES for cis-(1R,2R)-2-methyl-1-trimethylsilylcyclohexan-1-ol is C[C@@H]1CCCC[C@@]1(O)[Si](C)(C)C.
What is the InChIKey of cis-(1R,2R)-2-methyl-1-trimethylsilylcyclohexan-1-ol?
The InChIKey is CGXFXIXWOAYTFY-NXEZZACHSA-N. The full InChI is InChI=1S/C10H22OSi/c1-9-7-5-6-8-10(9,11)12(2,3)4/h9,11H,5-8H2,1-4H3/t9-,10-/m1/s1.
What are the key properties of cis-(1R,2R)-2-methyl-1-trimethylsilylcyclohexan-1-ol?
cis-(1R,2R)-2-methyl-1-trimethylsilylcyclohexan-1-ol has a molecular weight of 186.37 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-methyl-1-trimethylsilylcyclohexan-1-ol is sourced from PubChem (CID 13024088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).