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

C11H21BrOSi — CID 72711441

IUPAC(3-bromocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1C=C(Br)CC1
InChIInChI=1S/C11H21BrOSi/c1-11(2,3)14(4,5)13-10-7-6-9(12)8-10/h8,10H,6-7H2,1-5H3
InChIKeyZBLQIIBCBMQEOS-UHFFFAOYSA-N
MW277.28 g/mol
LogP4.45
Rot. Bonds2

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

(3-bromocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane (PubChem CID 72711441) has the molecular formula C11H21BrOSi and a molecular weight of 277.28 g/mol. Its IUPAC name is (3-bromocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(3-bromocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
PubChem CID72711441
Molecular FormulaC11H21BrOSi
Molecular Weight277.28 g/mol
Exact Mass276.05
IUPAC Name(3-bromocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1C=C(Br)CC1
InChIInChI=1S/C11H21BrOSi/c1-11(2,3)14(4,5)13-10-7-6-9(12)8-10/h8,10H,6-7H2,1-5H3
InChIKeyZBLQIIBCBMQEOS-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3-bromocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-bromocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane?
The IUPAC name of (3-bromocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane (CID 72711441) is (3-bromocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (3-bromocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane?
The canonical SMILES for (3-bromocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC1C=C(Br)CC1.
What is the InChIKey of (3-bromocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane?
The InChIKey is ZBLQIIBCBMQEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrOSi/c1-11(2,3)14(4,5)13-10-7-6-9(12)8-10/h8,10H,6-7H2,1-5H3.
What are the key properties of (3-bromocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane?
(3-bromocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane has a molecular weight of 277.28 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 72711441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).