2-[(1R,2S)-2-but-3-enylcyclopropyl]ethoxy-tert-butyl-dimethylsilane

C15H30OSi — CID 11043309

IUPAC2-[(1R,2S)-2-but-3-enylcyclopropyl]ethoxy-tert-butyl-dimethylsilane
SMILESC=CCC[C@H]1C[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30OSi/c1-7-8-9-13-12-14(13)10-11-16-17(5,6)15(2,3)4/h7,13-14H,1,8-12H2,2-6H3/t13-,14-/m0/s1
InChIKeyPTBAFHJXMRFYMK-KBPBESRZSA-N
MW254.49 g/mol
LogP5.00
Rot. Bonds7

About 2-[(1R,2S)-2-but-3-enylcyclopropyl]ethoxy-tert-butyl-dimethylsilane

2-[(1R,2S)-2-but-3-enylcyclopropyl]ethoxy-tert-butyl-dimethylsilane (PubChem CID 11043309) has the molecular formula C15H30OSi and a molecular weight of 254.49 g/mol. Its IUPAC name is 2-[(1R,2S)-2-but-3-enylcyclopropyl]ethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-[(1R,2S)-2-but-3-enylcyclopropyl]ethoxy-tert-butyl-dimethylsilane
PubChem CID11043309
Molecular FormulaC15H30OSi
Molecular Weight254.49 g/mol
Exact Mass254.21
IUPAC Name2-[(1R,2S)-2-but-3-enylcyclopropyl]ethoxy-tert-butyl-dimethylsilane
SMILESC=CCC[C@H]1C[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30OSi/c1-7-8-9-13-12-14(13)10-11-16-17(5,6)15(2,3)4/h7,13-14H,1,8-12H2,2-6H3/t13-,14-/m0/s1
InChIKeyPTBAFHJXMRFYMK-KBPBESRZSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.49
LogP ≤ 55.00
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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Related Compounds

Tert-butyl-(1-cyclohexylprop-2-enoxy)-dimethylsilane
CID 11253834
tert-butyl-[(2R)-2-ethenyloctoxy]-dimethylsilane
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CID 86222335
Tert-butyl-dimethyl-[3-(2-methylidenecyclopropyl)propoxy]silane
CID 102013865
tert-butyl-[(2S)-2-ethenyloctoxy]-dimethylsilane
CID 102331827
1-Cyclohexylprop-2-enoxy-dimethyl-prop-2-enylsilane
CID 135083685
tert-butyl-dimethyl-[(2R)-2-methyloct-7-enoxy]silane
CID 139263961
(S,e)-t-butyl(dimethyl)[(13-methylheptadec-10-en-1-yl)oxy]silane
CID 146679946
tert-butyl-[(2R,5S,7S)-5,7-dimethylnon-8-en-2-yl]oxy-dimethylsilane
CID 162396979
[(6R)-6-methyloct-7-enoxy]-tri(propan-2-yl)silane
CID 176426907
1-Dimethylthexylsilyloxy-10-undecene
CID 554863
tert-butyl-dimethyl-[(3S,5S)-5-methylnon-1-en-3-yl]oxysilane
CID 10592741

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-but-3-enylcyclopropyl]ethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-[(1R,2S)-2-but-3-enylcyclopropyl]ethoxy-tert-butyl-dimethylsilane (CID 11043309) is 2-[(1R,2S)-2-but-3-enylcyclopropyl]ethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-[(1R,2S)-2-but-3-enylcyclopropyl]ethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-[(1R,2S)-2-but-3-enylcyclopropyl]ethoxy-tert-butyl-dimethylsilane is C=CCC[C@H]1C[C@@H]1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[(1R,2S)-2-but-3-enylcyclopropyl]ethoxy-tert-butyl-dimethylsilane?
The InChIKey is PTBAFHJXMRFYMK-KBPBESRZSA-N. The full InChI is InChI=1S/C15H30OSi/c1-7-8-9-13-12-14(13)10-11-16-17(5,6)15(2,3)4/h7,13-14H,1,8-12H2,2-6H3/t13-,14-/m0/s1.
What are the key properties of 2-[(1R,2S)-2-but-3-enylcyclopropyl]ethoxy-tert-butyl-dimethylsilane?
2-[(1R,2S)-2-but-3-enylcyclopropyl]ethoxy-tert-butyl-dimethylsilane has a molecular weight of 254.49 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-but-3-enylcyclopropyl]ethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11043309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).