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

C15H30O2Si — CID 132821693

IUPACtert-butyl-[2-[(1R,2S)-2-ethoxycyclopent-3-en-1-yl]ethoxy]-dimethylsilane
SMILESCCO[C@@H]1C=CC[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-7-16-14-10-8-9-13(14)11-12-17-18(5,6)15(2,3)4/h8,10,13-14H,7,9,11-12H2,1-6H3/t13-,14-/m1/s1
InChIKeyKYXCVHBLYFTCPO-ZIAGYGMSSA-N
MW270.49 g/mol
LogP4.38
Rot. Bonds6

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

tert-butyl-[2-[(1R,2S)-2-ethoxycyclopent-3-en-1-yl]ethoxy]-dimethylsilane (PubChem CID 132821693) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is tert-butyl-[2-[(1R,2S)-2-ethoxycyclopent-3-en-1-yl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(1R,2S)-2-ethoxycyclopent-3-en-1-yl]ethoxy]-dimethylsilane
PubChem CID132821693
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Nametert-butyl-[2-[(1R,2S)-2-ethoxycyclopent-3-en-1-yl]ethoxy]-dimethylsilane
SMILESCCO[C@@H]1C=CC[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-7-16-14-10-8-9-13(14)11-12-17-18(5,6)15(2,3)4/h8,10,13-14H,7,9,11-12H2,1-6H3/t13-,14-/m1/s1
InChIKeyKYXCVHBLYFTCPO-ZIAGYGMSSA-N
XLogP4.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[2-[(1R,2S)-2-ethoxycyclopent-3-en-1-yl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[(1R,2S)-2-ethoxycyclopent-3-en-1-yl]ethoxy]-dimethylsilane (CID 132821693) is tert-butyl-[2-[(1R,2S)-2-ethoxycyclopent-3-en-1-yl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[(1R,2S)-2-ethoxycyclopent-3-en-1-yl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[(1R,2S)-2-ethoxycyclopent-3-en-1-yl]ethoxy]-dimethylsilane is CCO[C@@H]1C=CC[C@@H]1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[2-[(1R,2S)-2-ethoxycyclopent-3-en-1-yl]ethoxy]-dimethylsilane?
The InChIKey is KYXCVHBLYFTCPO-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-7-16-14-10-8-9-13(14)11-12-17-18(5,6)15(2,3)4/h8,10,13-14H,7,9,11-12H2,1-6H3/t13-,14-/m1/s1.
What are the key properties of tert-butyl-[2-[(1R,2S)-2-ethoxycyclopent-3-en-1-yl]ethoxy]-dimethylsilane?
tert-butyl-[2-[(1R,2S)-2-ethoxycyclopent-3-en-1-yl]ethoxy]-dimethylsilane has a molecular weight of 270.49 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(1R,2S)-2-ethoxycyclopent-3-en-1-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 132821693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).