[(1S,2R)-1-ethenyl-2-prop-2-ynylcyclohexyl]oxy-triethylsilane

C17H30OSi — CID 135023228

IUPAC[(1S,2R)-1-ethenyl-2-prop-2-ynylcyclohexyl]oxy-triethylsilane
SMILESC#CC[C@H]1CCCC[C@@]1(C=C)O[Si](CC)(CC)CC
InChIInChI=1S/C17H30OSi/c1-6-13-16-14-11-12-15-17(16,7-2)18-19(8-3,9-4)10-5/h1,7,16H,2,8-15H2,3-5H3/t16-,17+/m0/s1
InChIKeyNQHUVVXZQMIGON-DLBZAZTESA-N
MW278.51 g/mol
LogP5.15
Rot. Bonds7

About [(1S,2R)-1-ethenyl-2-prop-2-ynylcyclohexyl]oxy-triethylsilane

[(1S,2R)-1-ethenyl-2-prop-2-ynylcyclohexyl]oxy-triethylsilane (PubChem CID 135023228) has the molecular formula C17H30OSi and a molecular weight of 278.51 g/mol. Its IUPAC name is [(1S,2R)-1-ethenyl-2-prop-2-ynylcyclohexyl]oxy-triethylsilane.

Molecular Properties

Compound Name[(1S,2R)-1-ethenyl-2-prop-2-ynylcyclohexyl]oxy-triethylsilane
PubChem CID135023228
Molecular FormulaC17H30OSi
Molecular Weight278.51 g/mol
Exact Mass278.21
IUPAC Name[(1S,2R)-1-ethenyl-2-prop-2-ynylcyclohexyl]oxy-triethylsilane
SMILESC#CC[C@H]1CCCC[C@@]1(C=C)O[Si](CC)(CC)CC
InChIInChI=1S/C17H30OSi/c1-6-13-16-14-11-12-15-17(16,7-2)18-19(8-3,9-4)10-5/h1,7,16H,2,8-15H2,3-5H3/t16-,17+/m0/s1
InChIKeyNQHUVVXZQMIGON-DLBZAZTESA-N
XLogP5.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.51
LogP ≤ 55.15
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-1-ethenyl-2-prop-2-ynylcyclohexyl]oxy-triethylsilane?
The IUPAC name of [(1S,2R)-1-ethenyl-2-prop-2-ynylcyclohexyl]oxy-triethylsilane (CID 135023228) is [(1S,2R)-1-ethenyl-2-prop-2-ynylcyclohexyl]oxy-triethylsilane.
What is the SMILES notation for [(1S,2R)-1-ethenyl-2-prop-2-ynylcyclohexyl]oxy-triethylsilane?
The canonical SMILES for [(1S,2R)-1-ethenyl-2-prop-2-ynylcyclohexyl]oxy-triethylsilane is C#CC[C@H]1CCCC[C@@]1(C=C)O[Si](CC)(CC)CC.
What is the InChIKey of [(1S,2R)-1-ethenyl-2-prop-2-ynylcyclohexyl]oxy-triethylsilane?
The InChIKey is NQHUVVXZQMIGON-DLBZAZTESA-N. The full InChI is InChI=1S/C17H30OSi/c1-6-13-16-14-11-12-15-17(16,7-2)18-19(8-3,9-4)10-5/h1,7,16H,2,8-15H2,3-5H3/t16-,17+/m0/s1.
What are the key properties of [(1S,2R)-1-ethenyl-2-prop-2-ynylcyclohexyl]oxy-triethylsilane?
[(1S,2R)-1-ethenyl-2-prop-2-ynylcyclohexyl]oxy-triethylsilane has a molecular weight of 278.51 g/mol, XLogP of 5.15, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-1-ethenyl-2-prop-2-ynylcyclohexyl]oxy-triethylsilane is sourced from PubChem (CID 135023228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).