2-[(1R,2S)-2-butoxycyclopent-3-en-1-yl]ethoxy-tert-butyl-dimethylsilane

C17H34O2Si — CID 132821692

IUPAC2-[(1R,2S)-2-butoxycyclopent-3-en-1-yl]ethoxy-tert-butyl-dimethylsilane
SMILESCCCCO[C@@H]1C=CC[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si/c1-7-8-13-18-16-11-9-10-15(16)12-14-19-20(5,6)17(2,3)4/h9,11,15-16H,7-8,10,12-14H2,1-6H3/t15-,16-/m1/s1
InChIKeyVJXIUGLNEPKSRZ-HZPDHXFCSA-N
MW298.54 g/mol
LogP5.16
Rot. Bonds8

About 2-[(1R,2S)-2-butoxycyclopent-3-en-1-yl]ethoxy-tert-butyl-dimethylsilane

2-[(1R,2S)-2-butoxycyclopent-3-en-1-yl]ethoxy-tert-butyl-dimethylsilane (PubChem CID 132821692) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is 2-[(1R,2S)-2-butoxycyclopent-3-en-1-yl]ethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-[(1R,2S)-2-butoxycyclopent-3-en-1-yl]ethoxy-tert-butyl-dimethylsilane
PubChem CID132821692
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name2-[(1R,2S)-2-butoxycyclopent-3-en-1-yl]ethoxy-tert-butyl-dimethylsilane
SMILESCCCCO[C@@H]1C=CC[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si/c1-7-8-13-18-16-11-9-10-15(16)12-14-19-20(5,6)17(2,3)4/h9,11,15-16H,7-8,10,12-14H2,1-6H3/t15-,16-/m1/s1
InChIKeyVJXIUGLNEPKSRZ-HZPDHXFCSA-N
XLogP5.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-3-propoxy-4-(2-propoxyethyl)cyclopentene
CID 24744770
(3R,4S)-3-(3-methylbutoxy)-4-[2-(3-methylbutoxy)ethyl]cyclopentene
CID 24744919
(3R,4S)-3-ethoxy-4-(2-ethoxyethyl)cyclopentene
CID 24745088
(3R,4S)-3-butoxy-4-(2-butoxyethyl)cyclopentene
CID 24745089
[(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy-tri(propan-2-yl)silane
CID 11370334
tert-butyl-[(Z)-4-methoxyoct-2-enoxy]-dimethylsilane
CID 11529167
Trimethyl-(2-propan-2-yl-5-propyl-2,5-dihydrofuran-3-yl)silane
CID 13567511
[(1S,2S,3R,4R)-1-methyl-3-[tri(propan-2-yl)silyloxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane
CID 15174750
[(1S,2S,4S)-1-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane
CID 134887451
[5-(2,6-Dimethylhept-5-enyl)-2,5-dihydrofuran-2-yl]methyl-trimethylsilane
CID 134996885
Triethyl-[3-(oxolan-2-yl)prop-2-enoxy]silane
CID 135043262
Tri(propan-2-yl)-[[3-[tri(propan-2-yl)silyloxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy]silane
CID 162415651

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-butoxycyclopent-3-en-1-yl]ethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-[(1R,2S)-2-butoxycyclopent-3-en-1-yl]ethoxy-tert-butyl-dimethylsilane (CID 132821692) is 2-[(1R,2S)-2-butoxycyclopent-3-en-1-yl]ethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-[(1R,2S)-2-butoxycyclopent-3-en-1-yl]ethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-[(1R,2S)-2-butoxycyclopent-3-en-1-yl]ethoxy-tert-butyl-dimethylsilane is CCCCO[C@@H]1C=CC[C@@H]1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[(1R,2S)-2-butoxycyclopent-3-en-1-yl]ethoxy-tert-butyl-dimethylsilane?
The InChIKey is VJXIUGLNEPKSRZ-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-7-8-13-18-16-11-9-10-15(16)12-14-19-20(5,6)17(2,3)4/h9,11,15-16H,7-8,10,12-14H2,1-6H3/t15-,16-/m1/s1.
What are the key properties of 2-[(1R,2S)-2-butoxycyclopent-3-en-1-yl]ethoxy-tert-butyl-dimethylsilane?
2-[(1R,2S)-2-butoxycyclopent-3-en-1-yl]ethoxy-tert-butyl-dimethylsilane has a molecular weight of 298.54 g/mol, XLogP of 5.16, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-butoxycyclopent-3-en-1-yl]ethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 132821692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).