(3-but-3-en-2-yl-4-methylidenecyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane

C16H28OSi — CID 22908410

IUPAC(3-but-3-en-2-yl-4-methylidenecyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
SMILESC=CC(C)C1=CC(O[Si](C)(C)C(C)(C)C)CC1=C
InChIInChI=1S/C16H28OSi/c1-9-12(2)15-11-14(10-13(15)3)17-18(7,8)16(4,5)6/h9,11-12,14H,1,3,10H2,2,4-8H3
InChIKeyZKJRQLFIKBIFFF-UHFFFAOYSA-N
MW264.48 g/mol
LogP5.09
Rot. Bonds4

About (3-but-3-en-2-yl-4-methylidenecyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane

(3-but-3-en-2-yl-4-methylidenecyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane (PubChem CID 22908410) has the molecular formula C16H28OSi and a molecular weight of 264.48 g/mol. Its IUPAC name is (3-but-3-en-2-yl-4-methylidenecyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(3-but-3-en-2-yl-4-methylidenecyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
PubChem CID22908410
Molecular FormulaC16H28OSi
Molecular Weight264.48 g/mol
Exact Mass264.19
IUPAC Name(3-but-3-en-2-yl-4-methylidenecyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
SMILESC=CC(C)C1=CC(O[Si](C)(C)C(C)(C)C)CC1=C
InChIInChI=1S/C16H28OSi/c1-9-12(2)15-11-14(10-13(15)3)17-18(7,8)16(4,5)6/h9,11-12,14H,1,3,10H2,2,4-8H3
InChIKeyZKJRQLFIKBIFFF-UHFFFAOYSA-N
XLogP5.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.48
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (3-but-3-en-2-yl-4-methylidenecyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane?
The IUPAC name of (3-but-3-en-2-yl-4-methylidenecyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane (CID 22908410) is (3-but-3-en-2-yl-4-methylidenecyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (3-but-3-en-2-yl-4-methylidenecyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane?
The canonical SMILES for (3-but-3-en-2-yl-4-methylidenecyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane is C=CC(C)C1=CC(O[Si](C)(C)C(C)(C)C)CC1=C.
What is the InChIKey of (3-but-3-en-2-yl-4-methylidenecyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane?
The InChIKey is ZKJRQLFIKBIFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28OSi/c1-9-12(2)15-11-14(10-13(15)3)17-18(7,8)16(4,5)6/h9,11-12,14H,1,3,10H2,2,4-8H3.
What are the key properties of (3-but-3-en-2-yl-4-methylidenecyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane?
(3-but-3-en-2-yl-4-methylidenecyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane has a molecular weight of 264.48 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-but-3-en-2-yl-4-methylidenecyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 22908410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).