tert-butyl-[(1R)-cyclohex-2-en-1-yl]oxy-dimethylsilane

C12H24OSi — CID 11085132

IUPACtert-butyl-[(1R)-cyclohex-2-en-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=CCCC1
InChIInChI=1S/C12H24OSi/c1-12(2,3)14(4,5)13-11-9-7-6-8-10-11/h7,9,11H,6,8,10H2,1-5H3/t11-/m0/s1
InChIKeyPLPADPABNLKVHY-NSHDSACASA-N
MW212.41 g/mol
LogP4.12
Rot. Bonds2

About tert-butyl-[(1R)-cyclohex-2-en-1-yl]oxy-dimethylsilane

tert-butyl-[(1R)-cyclohex-2-en-1-yl]oxy-dimethylsilane (PubChem CID 11085132) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is tert-butyl-[(1R)-cyclohex-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R)-cyclohex-2-en-1-yl]oxy-dimethylsilane
PubChem CID11085132
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Nametert-butyl-[(1R)-cyclohex-2-en-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=CCCC1
InChIInChI=1S/C12H24OSi/c1-12(2,3)14(4,5)13-11-9-7-6-8-10-11/h7,9,11H,6,8,10H2,1-5H3/t11-/m0/s1
InChIKeyPLPADPABNLKVHY-NSHDSACASA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-cyclohex-2-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R)-cyclohex-2-en-1-yl]oxy-dimethylsilane (CID 11085132) is tert-butyl-[(1R)-cyclohex-2-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R)-cyclohex-2-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R)-cyclohex-2-en-1-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H]1C=CCCC1.
What is the InChIKey of tert-butyl-[(1R)-cyclohex-2-en-1-yl]oxy-dimethylsilane?
The InChIKey is PLPADPABNLKVHY-NSHDSACASA-N. The full InChI is InChI=1S/C12H24OSi/c1-12(2,3)14(4,5)13-11-9-7-6-8-10-11/h7,9,11H,6,8,10H2,1-5H3/t11-/m0/s1.
What are the key properties of tert-butyl-[(1R)-cyclohex-2-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1R)-cyclohex-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 212.41 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R)-cyclohex-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 11085132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).