(1-ethoxycyclohexyl)selanylbenzene

C14H20OSe — CID 134893569

IUPAC(1-ethoxycyclohexyl)selanylbenzene
SMILESCCOC1([Se]c2ccccc2)CCCCC1
InChIInChI=1S/C14H20OSe/c1-2-15-14(11-7-4-8-12-14)16-13-9-5-3-6-10-13/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3
InChIKeyCGCKGKZQFYIDKE-UHFFFAOYSA-N
MW283.27 g/mol
LogP2.71
Rot. Bonds4

About (1-ethoxycyclohexyl)selanylbenzene

(1-ethoxycyclohexyl)selanylbenzene (PubChem CID 134893569) has the molecular formula C14H20OSe and a molecular weight of 283.27 g/mol. Its IUPAC name is (1-ethoxycyclohexyl)selanylbenzene.

Molecular Properties

Compound Name(1-ethoxycyclohexyl)selanylbenzene
PubChem CID134893569
Molecular FormulaC14H20OSe
Molecular Weight283.27 g/mol
Exact Mass284.07
IUPAC Name(1-ethoxycyclohexyl)selanylbenzene
SMILESCCOC1([Se]c2ccccc2)CCCCC1
InChIInChI=1S/C14H20OSe/c1-2-15-14(11-7-4-8-12-14)16-13-9-5-3-6-10-13/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3
InChIKeyCGCKGKZQFYIDKE-UHFFFAOYSA-N
XLogP2.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 52.71
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 (1-ethoxycyclohexyl)selanylbenzene?
The IUPAC name of (1-ethoxycyclohexyl)selanylbenzene (CID 134893569) is (1-ethoxycyclohexyl)selanylbenzene.
What is the SMILES notation for (1-ethoxycyclohexyl)selanylbenzene?
The canonical SMILES for (1-ethoxycyclohexyl)selanylbenzene is CCOC1([Se]c2ccccc2)CCCCC1.
What is the InChIKey of (1-ethoxycyclohexyl)selanylbenzene?
The InChIKey is CGCKGKZQFYIDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OSe/c1-2-15-14(11-7-4-8-12-14)16-13-9-5-3-6-10-13/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3.
What are the key properties of (1-ethoxycyclohexyl)selanylbenzene?
(1-ethoxycyclohexyl)selanylbenzene has a molecular weight of 283.27 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclohexyl)selanylbenzene is sourced from PubChem (CID 134893569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).