(3-bromo-2-butylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane

C15H29BrOSi — CID 102184983

IUPAC(3-bromo-2-butylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
SMILESCCCCC1=C(Br)CCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H29BrOSi/c1-7-8-9-12-13(16)10-11-14(12)17-18(5,6)15(2,3)4/h14H,7-11H2,1-6H3
InChIKeyQAKSXOYRFLYZOQ-UHFFFAOYSA-N
MW333.39 g/mol
LogP6.01
Rot. Bonds5

About (3-bromo-2-butylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane

(3-bromo-2-butylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane (PubChem CID 102184983) has the molecular formula C15H29BrOSi and a molecular weight of 333.39 g/mol. Its IUPAC name is (3-bromo-2-butylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(3-bromo-2-butylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
PubChem CID102184983
Molecular FormulaC15H29BrOSi
Molecular Weight333.39 g/mol
Exact Mass332.12
IUPAC Name(3-bromo-2-butylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
SMILESCCCCC1=C(Br)CCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H29BrOSi/c1-7-8-9-12-13(16)10-11-14(12)17-18(5,6)15(2,3)4/h14H,7-11H2,1-6H3
InChIKeyQAKSXOYRFLYZOQ-UHFFFAOYSA-N
XLogP6.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.39
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-butylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane?
The IUPAC name of (3-bromo-2-butylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane (CID 102184983) is (3-bromo-2-butylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (3-bromo-2-butylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane?
The canonical SMILES for (3-bromo-2-butylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane is CCCCC1=C(Br)CCC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3-bromo-2-butylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane?
The InChIKey is QAKSXOYRFLYZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29BrOSi/c1-7-8-9-12-13(16)10-11-14(12)17-18(5,6)15(2,3)4/h14H,7-11H2,1-6H3.
What are the key properties of (3-bromo-2-butylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane?
(3-bromo-2-butylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane has a molecular weight of 333.39 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-butylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 102184983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).