tert-butyl-[(1R,4S)-4-methoxy-5,5-dimethylcyclohex-2-en-1-yl]oxy-dimethylsilane

C15H30O2Si — CID 10468382

IUPACtert-butyl-[(1R,4S)-4-methoxy-5,5-dimethylcyclohex-2-en-1-yl]oxy-dimethylsilane
SMILESCO[C@H]1C=C[C@H](O[Si](C)(C)C(C)(C)C)CC1(C)C
InChIInChI=1S/C15H30O2Si/c1-14(2,3)18(7,8)17-12-9-10-13(16-6)15(4,5)11-12/h9-10,12-13H,11H2,1-8H3/t12-,13-/m0/s1
InChIKeyVIYYPCKAUJBWBB-STQMWFEESA-N
MW270.49 g/mol
LogP4.38
Rot. Bonds3

About tert-butyl-[(1R,4S)-4-methoxy-5,5-dimethylcyclohex-2-en-1-yl]oxy-dimethylsilane

tert-butyl-[(1R,4S)-4-methoxy-5,5-dimethylcyclohex-2-en-1-yl]oxy-dimethylsilane (PubChem CID 10468382) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is tert-butyl-[(1R,4S)-4-methoxy-5,5-dimethylcyclohex-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,4S)-4-methoxy-5,5-dimethylcyclohex-2-en-1-yl]oxy-dimethylsilane
PubChem CID10468382
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Nametert-butyl-[(1R,4S)-4-methoxy-5,5-dimethylcyclohex-2-en-1-yl]oxy-dimethylsilane
SMILESCO[C@H]1C=C[C@H](O[Si](C)(C)C(C)(C)C)CC1(C)C
InChIInChI=1S/C15H30O2Si/c1-14(2,3)18(7,8)17-12-9-10-13(16-6)15(4,5)11-12/h9-10,12-13H,11H2,1-8H3/t12-,13-/m0/s1
InChIKeyVIYYPCKAUJBWBB-STQMWFEESA-N
XLogP4.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,4S)-4-methoxy-5,5-dimethylcyclohex-2-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,4S)-4-methoxy-5,5-dimethylcyclohex-2-en-1-yl]oxy-dimethylsilane (CID 10468382) is tert-butyl-[(1R,4S)-4-methoxy-5,5-dimethylcyclohex-2-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,4S)-4-methoxy-5,5-dimethylcyclohex-2-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,4S)-4-methoxy-5,5-dimethylcyclohex-2-en-1-yl]oxy-dimethylsilane is CO[C@H]1C=C[C@H](O[Si](C)(C)C(C)(C)C)CC1(C)C.
What is the InChIKey of tert-butyl-[(1R,4S)-4-methoxy-5,5-dimethylcyclohex-2-en-1-yl]oxy-dimethylsilane?
The InChIKey is VIYYPCKAUJBWBB-STQMWFEESA-N. The full InChI is InChI=1S/C15H30O2Si/c1-14(2,3)18(7,8)17-12-9-10-13(16-6)15(4,5)11-12/h9-10,12-13H,11H2,1-8H3/t12-,13-/m0/s1.
What are the key properties of tert-butyl-[(1R,4S)-4-methoxy-5,5-dimethylcyclohex-2-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1R,4S)-4-methoxy-5,5-dimethylcyclohex-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 270.49 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,4S)-4-methoxy-5,5-dimethylcyclohex-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 10468382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).