tert-butyl-(4-decyl-2-methylcyclopent-3-en-1-yl)oxy-dimethylsilane

C22H44OSi — CID 10521979

IUPACtert-butyl-(4-decyl-2-methylcyclopent-3-en-1-yl)oxy-dimethylsilane
SMILESCCCCCCCCCCC1=CC(C)C(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C22H44OSi/c1-8-9-10-11-12-13-14-15-16-20-17-19(2)21(18-20)23-24(6,7)22(3,4)5/h17,19,21H,8-16,18H2,1-7H3
InChIKeyPFTRJSCTYHYWIO-UHFFFAOYSA-N
MW352.68 g/mol
LogP7.87
Rot. Bonds11

About tert-butyl-(4-decyl-2-methylcyclopent-3-en-1-yl)oxy-dimethylsilane

tert-butyl-(4-decyl-2-methylcyclopent-3-en-1-yl)oxy-dimethylsilane (PubChem CID 10521979) has the molecular formula C22H44OSi and a molecular weight of 352.68 g/mol. Its IUPAC name is tert-butyl-(4-decyl-2-methylcyclopent-3-en-1-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(4-decyl-2-methylcyclopent-3-en-1-yl)oxy-dimethylsilane
PubChem CID10521979
Molecular FormulaC22H44OSi
Molecular Weight352.68 g/mol
Exact Mass352.32
IUPAC Nametert-butyl-(4-decyl-2-methylcyclopent-3-en-1-yl)oxy-dimethylsilane
SMILESCCCCCCCCCCC1=CC(C)C(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C22H44OSi/c1-8-9-10-11-12-13-14-15-16-20-17-19(2)21(18-20)23-24(6,7)22(3,4)5/h17,19,21H,8-16,18H2,1-7H3
InChIKeyPFTRJSCTYHYWIO-UHFFFAOYSA-N
XLogP7.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.68
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 tert-butyl-(4-decyl-2-methylcyclopent-3-en-1-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(4-decyl-2-methylcyclopent-3-en-1-yl)oxy-dimethylsilane (CID 10521979) is tert-butyl-(4-decyl-2-methylcyclopent-3-en-1-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(4-decyl-2-methylcyclopent-3-en-1-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(4-decyl-2-methylcyclopent-3-en-1-yl)oxy-dimethylsilane is CCCCCCCCCCC1=CC(C)C(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-(4-decyl-2-methylcyclopent-3-en-1-yl)oxy-dimethylsilane?
The InChIKey is PFTRJSCTYHYWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44OSi/c1-8-9-10-11-12-13-14-15-16-20-17-19(2)21(18-20)23-24(6,7)22(3,4)5/h17,19,21H,8-16,18H2,1-7H3.
What are the key properties of tert-butyl-(4-decyl-2-methylcyclopent-3-en-1-yl)oxy-dimethylsilane?
tert-butyl-(4-decyl-2-methylcyclopent-3-en-1-yl)oxy-dimethylsilane has a molecular weight of 352.68 g/mol, XLogP of 7.87, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4-decyl-2-methylcyclopent-3-en-1-yl)oxy-dimethylsilane is sourced from PubChem (CID 10521979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).