tert-butyl-(1-cyclopent-2-en-1-ylpentan-3-yloxy)-dimethylsilane

C32H64O2Si2 — CID 70430781

IUPACtert-butyl-(1-cyclopent-2-en-1-ylpentan-3-yloxy)-dimethylsilane
SMILESCCC(CCC1C=CCC1)O[Si](C)(C)C(C)(C)C.CCC(CCC1C=CCC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/2C16H32OSi/c2*1-7-15(13-12-14-10-8-9-11-14)17-18(5,6)16(2,3)4/h2*8,10,14-15H,7,9,11-13H2,1-6H3
InChIKeyXLYCZRXDMYWLLH-UHFFFAOYSA-N
MW537.03 g/mol
LogP11.07
Rot. Bonds12

About tert-butyl-(1-cyclopent-2-en-1-ylpentan-3-yloxy)-dimethylsilane

tert-butyl-(1-cyclopent-2-en-1-ylpentan-3-yloxy)-dimethylsilane (PubChem CID 70430781) has the molecular formula C32H64O2Si2 and a molecular weight of 537.03 g/mol. Its IUPAC name is tert-butyl-(1-cyclopent-2-en-1-ylpentan-3-yloxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(1-cyclopent-2-en-1-ylpentan-3-yloxy)-dimethylsilane
PubChem CID70430781
Molecular FormulaC32H64O2Si2
Molecular Weight537.03 g/mol
Exact Mass536.44
IUPAC Nametert-butyl-(1-cyclopent-2-en-1-ylpentan-3-yloxy)-dimethylsilane
SMILESCCC(CCC1C=CCC1)O[Si](C)(C)C(C)(C)C.CCC(CCC1C=CCC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/2C16H32OSi/c2*1-7-15(13-12-14-10-8-9-11-14)17-18(5,6)16(2,3)4/h2*8,10,14-15H,7,9,11-13H2,1-6H3
InChIKeyXLYCZRXDMYWLLH-UHFFFAOYSA-N
XLogP11.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.03
LogP ≤ 511.07
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-(1-cyclopent-2-en-1-ylpentan-3-yloxy)-dimethylsilane?
The IUPAC name of tert-butyl-(1-cyclopent-2-en-1-ylpentan-3-yloxy)-dimethylsilane (CID 70430781) is tert-butyl-(1-cyclopent-2-en-1-ylpentan-3-yloxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(1-cyclopent-2-en-1-ylpentan-3-yloxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(1-cyclopent-2-en-1-ylpentan-3-yloxy)-dimethylsilane is CCC(CCC1C=CCC1)O[Si](C)(C)C(C)(C)C.CCC(CCC1C=CCC1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(1-cyclopent-2-en-1-ylpentan-3-yloxy)-dimethylsilane?
The InChIKey is XLYCZRXDMYWLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H32OSi/c2*1-7-15(13-12-14-10-8-9-11-14)17-18(5,6)16(2,3)4/h2*8,10,14-15H,7,9,11-13H2,1-6H3.
What are the key properties of tert-butyl-(1-cyclopent-2-en-1-ylpentan-3-yloxy)-dimethylsilane?
tert-butyl-(1-cyclopent-2-en-1-ylpentan-3-yloxy)-dimethylsilane has a molecular weight of 537.03 g/mol, XLogP of 11.07, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1-cyclopent-2-en-1-ylpentan-3-yloxy)-dimethylsilane is sourced from PubChem (CID 70430781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).