tert-butyl-[5-[(E)-4-methoxybut-2-en-2-yl]cyclopenten-1-yl]oxy-dimethylsilane

C16H30O2Si — CID 100957892

IUPACtert-butyl-[5-[(E)-4-methoxybut-2-en-2-yl]cyclopenten-1-yl]oxy-dimethylsilane
SMILESCOC/C=C(\C)C1CCC=C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-13(11-12-17-5)14-9-8-10-15(14)18-19(6,7)16(2,3)4/h10-11,14H,8-9,12H2,1-7H3/b13-11+
InChIKeyNXAXIVPSEHBEQE-ACCUITESSA-N
MW282.50 g/mol
LogP4.89
Rot. Bonds5

About tert-butyl-[5-[(E)-4-methoxybut-2-en-2-yl]cyclopenten-1-yl]oxy-dimethylsilane

tert-butyl-[5-[(E)-4-methoxybut-2-en-2-yl]cyclopenten-1-yl]oxy-dimethylsilane (PubChem CID 100957892) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is tert-butyl-[5-[(E)-4-methoxybut-2-en-2-yl]cyclopenten-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[5-[(E)-4-methoxybut-2-en-2-yl]cyclopenten-1-yl]oxy-dimethylsilane
PubChem CID100957892
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Nametert-butyl-[5-[(E)-4-methoxybut-2-en-2-yl]cyclopenten-1-yl]oxy-dimethylsilane
SMILESCOC/C=C(\C)C1CCC=C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-13(11-12-17-5)14-9-8-10-15(14)18-19(6,7)16(2,3)4/h10-11,14H,8-9,12H2,1-7H3/b13-11+
InChIKeyNXAXIVPSEHBEQE-ACCUITESSA-N
XLogP4.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.89
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-[5-[(E)-4-methoxybut-2-en-2-yl]cyclopenten-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[5-[(E)-4-methoxybut-2-en-2-yl]cyclopenten-1-yl]oxy-dimethylsilane (CID 100957892) is tert-butyl-[5-[(E)-4-methoxybut-2-en-2-yl]cyclopenten-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[5-[(E)-4-methoxybut-2-en-2-yl]cyclopenten-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[5-[(E)-4-methoxybut-2-en-2-yl]cyclopenten-1-yl]oxy-dimethylsilane is COC/C=C(\C)C1CCC=C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[5-[(E)-4-methoxybut-2-en-2-yl]cyclopenten-1-yl]oxy-dimethylsilane?
The InChIKey is NXAXIVPSEHBEQE-ACCUITESSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-13(11-12-17-5)14-9-8-10-15(14)18-19(6,7)16(2,3)4/h10-11,14H,8-9,12H2,1-7H3/b13-11+.
What are the key properties of tert-butyl-[5-[(E)-4-methoxybut-2-en-2-yl]cyclopenten-1-yl]oxy-dimethylsilane?
tert-butyl-[5-[(E)-4-methoxybut-2-en-2-yl]cyclopenten-1-yl]oxy-dimethylsilane has a molecular weight of 282.50 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[5-[(E)-4-methoxybut-2-en-2-yl]cyclopenten-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 100957892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).