(2-bromocyclohexen-1-yl)selanylmethylbenzene

C13H15BrSe — CID 11131321

IUPAC(2-bromocyclohexen-1-yl)selanylmethylbenzene
SMILESBrC1=C([Se]Cc2ccccc2)CCCC1
InChIInChI=1S/C13H15BrSe/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKeyDVAYBUHQMCVDCD-UHFFFAOYSA-N
MW330.13 g/mol
LogP4.07
Rot. Bonds3

About (2-bromocyclohexen-1-yl)selanylmethylbenzene

(2-bromocyclohexen-1-yl)selanylmethylbenzene (PubChem CID 11131321) has the molecular formula C13H15BrSe and a molecular weight of 330.13 g/mol. Its IUPAC name is (2-bromocyclohexen-1-yl)selanylmethylbenzene.

Molecular Properties

Compound Name(2-bromocyclohexen-1-yl)selanylmethylbenzene
PubChem CID11131321
Molecular FormulaC13H15BrSe
Molecular Weight330.13 g/mol
Exact Mass329.95
IUPAC Name(2-bromocyclohexen-1-yl)selanylmethylbenzene
SMILESBrC1=C([Se]Cc2ccccc2)CCCC1
InChIInChI=1S/C13H15BrSe/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKeyDVAYBUHQMCVDCD-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.13
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (2-bromocyclohexen-1-yl)selanylmethylbenzene?
The IUPAC name of (2-bromocyclohexen-1-yl)selanylmethylbenzene (CID 11131321) is (2-bromocyclohexen-1-yl)selanylmethylbenzene.
What is the SMILES notation for (2-bromocyclohexen-1-yl)selanylmethylbenzene?
The canonical SMILES for (2-bromocyclohexen-1-yl)selanylmethylbenzene is BrC1=C([Se]Cc2ccccc2)CCCC1.
What is the InChIKey of (2-bromocyclohexen-1-yl)selanylmethylbenzene?
The InChIKey is DVAYBUHQMCVDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrSe/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2.
What are the key properties of (2-bromocyclohexen-1-yl)selanylmethylbenzene?
(2-bromocyclohexen-1-yl)selanylmethylbenzene has a molecular weight of 330.13 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromocyclohexen-1-yl)selanylmethylbenzene is sourced from PubChem (CID 11131321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).