[4-(cyclopenten-1-yl)-1-trimethylsilyloxyundecan-2-yl]oxy-trimethylsilane

C22H46O2Si2 — CID 54560010

IUPAC[4-(cyclopenten-1-yl)-1-trimethylsilyloxyundecan-2-yl]oxy-trimethylsilane
SMILESCCCCCCCC(CC(CO[Si](C)(C)C)O[Si](C)(C)C)C1=CCCC1
InChIInChI=1S/C22H46O2Si2/c1-8-9-10-11-12-17-21(20-15-13-14-16-20)18-22(24-26(5,6)7)19-23-25(2,3)4/h15,21-22H,8-14,16-19H2,1-7H3
InChIKeyZPWHXKAMYZUDIF-UHFFFAOYSA-N
MW398.78 g/mol
LogP7.54
Rot. Bonds14

About [4-(cyclopenten-1-yl)-1-trimethylsilyloxyundecan-2-yl]oxy-trimethylsilane

[4-(cyclopenten-1-yl)-1-trimethylsilyloxyundecan-2-yl]oxy-trimethylsilane (PubChem CID 54560010) has the molecular formula C22H46O2Si2 and a molecular weight of 398.78 g/mol. Its IUPAC name is [4-(cyclopenten-1-yl)-1-trimethylsilyloxyundecan-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[4-(cyclopenten-1-yl)-1-trimethylsilyloxyundecan-2-yl]oxy-trimethylsilane
PubChem CID54560010
Molecular FormulaC22H46O2Si2
Molecular Weight398.78 g/mol
Exact Mass398.30
IUPAC Name[4-(cyclopenten-1-yl)-1-trimethylsilyloxyundecan-2-yl]oxy-trimethylsilane
SMILESCCCCCCCC(CC(CO[Si](C)(C)C)O[Si](C)(C)C)C1=CCCC1
InChIInChI=1S/C22H46O2Si2/c1-8-9-10-11-12-17-21(20-15-13-14-16-20)18-22(24-26(5,6)7)19-23-25(2,3)4/h15,21-22H,8-14,16-19H2,1-7H3
InChIKeyZPWHXKAMYZUDIF-UHFFFAOYSA-N
XLogP7.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.78
LogP ≤ 57.54
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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Frequently Asked Questions

What is the IUPAC name of [4-(cyclopenten-1-yl)-1-trimethylsilyloxyundecan-2-yl]oxy-trimethylsilane?
The IUPAC name of [4-(cyclopenten-1-yl)-1-trimethylsilyloxyundecan-2-yl]oxy-trimethylsilane (CID 54560010) is [4-(cyclopenten-1-yl)-1-trimethylsilyloxyundecan-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [4-(cyclopenten-1-yl)-1-trimethylsilyloxyundecan-2-yl]oxy-trimethylsilane?
The canonical SMILES for [4-(cyclopenten-1-yl)-1-trimethylsilyloxyundecan-2-yl]oxy-trimethylsilane is CCCCCCCC(CC(CO[Si](C)(C)C)O[Si](C)(C)C)C1=CCCC1.
What is the InChIKey of [4-(cyclopenten-1-yl)-1-trimethylsilyloxyundecan-2-yl]oxy-trimethylsilane?
The InChIKey is ZPWHXKAMYZUDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O2Si2/c1-8-9-10-11-12-17-21(20-15-13-14-16-20)18-22(24-26(5,6)7)19-23-25(2,3)4/h15,21-22H,8-14,16-19H2,1-7H3.
What are the key properties of [4-(cyclopenten-1-yl)-1-trimethylsilyloxyundecan-2-yl]oxy-trimethylsilane?
[4-(cyclopenten-1-yl)-1-trimethylsilyloxyundecan-2-yl]oxy-trimethylsilane has a molecular weight of 398.78 g/mol, XLogP of 7.54, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopenten-1-yl)-1-trimethylsilyloxyundecan-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 54560010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).