[(1R,2R)-1-[(E)-but-2-enoxy]-2-methylcyclopropyl]oxy-tert-butyl-dimethylsilane

C14H28O2Si — CID 11128944

IUPAC[(1R,2R)-1-[(E)-but-2-enoxy]-2-methylcyclopropyl]oxy-tert-butyl-dimethylsilane
SMILESC/C=C/CO[C@@]1(O[Si](C)(C)C(C)(C)C)C[C@H]1C
InChIInChI=1S/C14H28O2Si/c1-8-9-10-15-14(11-12(14)2)16-17(6,7)13(3,4)5/h8-9,12H,10-11H2,1-7H3/b9-8+/t12-,14-/m1/s1
InChIKeyMAFXIJVKRJEUSH-UWCZFHCBSA-N
MW256.46 g/mol
LogP4.34
Rot. Bonds5

About [(1R,2R)-1-[(E)-but-2-enoxy]-2-methylcyclopropyl]oxy-tert-butyl-dimethylsilane

[(1R,2R)-1-[(E)-but-2-enoxy]-2-methylcyclopropyl]oxy-tert-butyl-dimethylsilane (PubChem CID 11128944) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is [(1R,2R)-1-[(E)-but-2-enoxy]-2-methylcyclopropyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R,2R)-1-[(E)-but-2-enoxy]-2-methylcyclopropyl]oxy-tert-butyl-dimethylsilane
PubChem CID11128944
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name[(1R,2R)-1-[(E)-but-2-enoxy]-2-methylcyclopropyl]oxy-tert-butyl-dimethylsilane
SMILESC/C=C/CO[C@@]1(O[Si](C)(C)C(C)(C)C)C[C@H]1C
InChIInChI=1S/C14H28O2Si/c1-8-9-10-15-14(11-12(14)2)16-17(6,7)13(3,4)5/h8-9,12H,10-11H2,1-7H3/b9-8+/t12-,14-/m1/s1
InChIKeyMAFXIJVKRJEUSH-UWCZFHCBSA-N
XLogP4.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(1S,2S)-1-ethyl-2-methylcyclopropyl]oxy-dimethylsilane
CID 101080937
tert-butyl-(1,3-dimethylcyclobutyl)oxy-dimethylsilane
CID 174101366
1-bicyclo[1.1.1]pentanyloxy-tert-butyl-dimethylsilane
CID 174174043
2-[(1R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentyl]acetaldehyde
CID 125449879
trans-(1R,2S)-1-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-prop-1-enyl]cyclopropan-1-ol
CID 134930587
tert-butyl-dimethyl-(1-prop-2-enylcyclobutyl)oxysilane
CID 66844818
1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol
CID 67592724
tert-butyl-dimethyl-[(1R,2S)-2-methyl-1-oct-1-ynylcyclopropyl]oxysilane
CID 100920320
tert-butyl-[(E)-hex-4-enoxy]-dimethylsilane
CID 15936622
tert-butyl-dimethyl-(4-methyl-1-propylcyclohexyl)oxysilane
CID 70179351
cis-(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(2-oxoethyl)cyclopentane-1-carbonitrile
CID 125449778
tert-butyl-[(Z)-5,5-dimethylhex-2-enoxy]-dimethylsilane
CID 58534802

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1-[(E)-but-2-enoxy]-2-methylcyclopropyl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1R,2R)-1-[(E)-but-2-enoxy]-2-methylcyclopropyl]oxy-tert-butyl-dimethylsilane (CID 11128944) is [(1R,2R)-1-[(E)-but-2-enoxy]-2-methylcyclopropyl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R,2R)-1-[(E)-but-2-enoxy]-2-methylcyclopropyl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R,2R)-1-[(E)-but-2-enoxy]-2-methylcyclopropyl]oxy-tert-butyl-dimethylsilane is C/C=C/CO[C@@]1(O[Si](C)(C)C(C)(C)C)C[C@H]1C.
What is the InChIKey of [(1R,2R)-1-[(E)-but-2-enoxy]-2-methylcyclopropyl]oxy-tert-butyl-dimethylsilane?
The InChIKey is MAFXIJVKRJEUSH-UWCZFHCBSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-8-9-10-15-14(11-12(14)2)16-17(6,7)13(3,4)5/h8-9,12H,10-11H2,1-7H3/b9-8+/t12-,14-/m1/s1.
What are the key properties of [(1R,2R)-1-[(E)-but-2-enoxy]-2-methylcyclopropyl]oxy-tert-butyl-dimethylsilane?
[(1R,2R)-1-[(E)-but-2-enoxy]-2-methylcyclopropyl]oxy-tert-butyl-dimethylsilane has a molecular weight of 256.46 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1-[(E)-but-2-enoxy]-2-methylcyclopropyl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11128944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).