8-bromo-2-ethenyl-oxacycloundecane

C12H21BrO — CID 90909390

IUPAC8-bromo-2-ethenyl-oxacycloundecane
SMILESC=CC1CCCCCC(Br)CCCO1
InChIInChI=1S/C12H21BrO/c1-2-12-9-5-3-4-7-11(13)8-6-10-14-12/h2,11-12H,1,3-10H2
InChIKeyQXWSLDNEZWJBSF-UHFFFAOYSA-N
MW261.20 g/mol
LogP4.07
Rot. Bonds1

About 8-bromo-2-ethenyl-oxacycloundecane

8-bromo-2-ethenyl-oxacycloundecane (PubChem CID 90909390) has the molecular formula C12H21BrO and a molecular weight of 261.20 g/mol. Its IUPAC name is 8-bromo-2-ethenyl-oxacycloundecane.

Molecular Properties

Compound Name8-bromo-2-ethenyl-oxacycloundecane
PubChem CID90909390
Molecular FormulaC12H21BrO
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC Name8-bromo-2-ethenyl-oxacycloundecane
SMILESC=CC1CCCCCC(Br)CCCO1
InChIInChI=1S/C12H21BrO/c1-2-12-9-5-3-4-7-11(13)8-6-10-14-12/h2,11-12H,1,3-10H2
InChIKeyQXWSLDNEZWJBSF-UHFFFAOYSA-N
XLogP4.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-ethenyl-oxacycloundecane?
The IUPAC name of 8-bromo-2-ethenyl-oxacycloundecane (CID 90909390) is 8-bromo-2-ethenyl-oxacycloundecane.
What is the SMILES notation for 8-bromo-2-ethenyl-oxacycloundecane?
The canonical SMILES for 8-bromo-2-ethenyl-oxacycloundecane is C=CC1CCCCCC(Br)CCCO1.
What is the InChIKey of 8-bromo-2-ethenyl-oxacycloundecane?
The InChIKey is QXWSLDNEZWJBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrO/c1-2-12-9-5-3-4-7-11(13)8-6-10-14-12/h2,11-12H,1,3-10H2.
What are the key properties of 8-bromo-2-ethenyl-oxacycloundecane?
8-bromo-2-ethenyl-oxacycloundecane has a molecular weight of 261.20 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-ethenyl-oxacycloundecane is sourced from PubChem (CID 90909390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).