[(3R,5R)-3,5-dimethylcyclohexen-1-yl]oxy-trimethylsilane

C11H22OSi — CID 14226865

IUPAC[(3R,5R)-3,5-dimethylcyclohexen-1-yl]oxy-trimethylsilane
SMILESC[C@H]1CC(O[Si](C)(C)C)=C[C@H](C)C1
InChIInChI=1S/C11H22OSi/c1-9-6-10(2)8-11(7-9)12-13(3,4)5/h7,9-10H,6,8H2,1-5H3/t9-,10-/m1/s1
InChIKeyIGTSFNAKFZIFEL-NXEZZACHSA-N
MW198.38 g/mol
LogP3.79
Rot. Bonds2

About [(3R,5R)-3,5-dimethylcyclohexen-1-yl]oxy-trimethylsilane

[(3R,5R)-3,5-dimethylcyclohexen-1-yl]oxy-trimethylsilane (PubChem CID 14226865) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is [(3R,5R)-3,5-dimethylcyclohexen-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(3R,5R)-3,5-dimethylcyclohexen-1-yl]oxy-trimethylsilane
PubChem CID14226865
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name[(3R,5R)-3,5-dimethylcyclohexen-1-yl]oxy-trimethylsilane
SMILESC[C@H]1CC(O[Si](C)(C)C)=C[C@H](C)C1
InChIInChI=1S/C11H22OSi/c1-9-6-10(2)8-11(7-9)12-13(3,4)5/h7,9-10H,6,8H2,1-5H3/t9-,10-/m1/s1
InChIKeyIGTSFNAKFZIFEL-NXEZZACHSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 53.79
H-Bond Donors ≤ 50
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 [(3R,5R)-3,5-dimethylcyclohexen-1-yl]oxy-trimethylsilane?
The IUPAC name of [(3R,5R)-3,5-dimethylcyclohexen-1-yl]oxy-trimethylsilane (CID 14226865) is [(3R,5R)-3,5-dimethylcyclohexen-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [(3R,5R)-3,5-dimethylcyclohexen-1-yl]oxy-trimethylsilane?
The canonical SMILES for [(3R,5R)-3,5-dimethylcyclohexen-1-yl]oxy-trimethylsilane is C[C@H]1CC(O[Si](C)(C)C)=C[C@H](C)C1.
What is the InChIKey of [(3R,5R)-3,5-dimethylcyclohexen-1-yl]oxy-trimethylsilane?
The InChIKey is IGTSFNAKFZIFEL-NXEZZACHSA-N. The full InChI is InChI=1S/C11H22OSi/c1-9-6-10(2)8-11(7-9)12-13(3,4)5/h7,9-10H,6,8H2,1-5H3/t9-,10-/m1/s1.
What are the key properties of [(3R,5R)-3,5-dimethylcyclohexen-1-yl]oxy-trimethylsilane?
[(3R,5R)-3,5-dimethylcyclohexen-1-yl]oxy-trimethylsilane has a molecular weight of 198.38 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-3,5-dimethylcyclohexen-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 14226865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).