(2-methoxycyclohexyl)selanylbenzene

C13H18OSe — CID 12591704

IUPAC(2-methoxycyclohexyl)selanylbenzene
SMILESCOC1CCCCC1[Se]c1ccccc1
InChIInChI=1S/C13H18OSe/c1-14-12-9-5-6-10-13(12)15-11-7-3-2-4-8-11/h2-4,7-8,12-13H,5-6,9-10H2,1H3
InChIKeyXYHUJDYKSGEKEE-UHFFFAOYSA-N
MW269.25 g/mol
LogP2.39
Rot. Bonds3

About (2-methoxycyclohexyl)selanylbenzene

(2-methoxycyclohexyl)selanylbenzene (PubChem CID 12591704) has the molecular formula C13H18OSe and a molecular weight of 269.25 g/mol. Its IUPAC name is (2-methoxycyclohexyl)selanylbenzene.

Molecular Properties

Compound Name(2-methoxycyclohexyl)selanylbenzene
PubChem CID12591704
Molecular FormulaC13H18OSe
Molecular Weight269.25 g/mol
Exact Mass270.05
IUPAC Name(2-methoxycyclohexyl)selanylbenzene
SMILESCOC1CCCCC1[Se]c1ccccc1
InChIInChI=1S/C13H18OSe/c1-14-12-9-5-6-10-13(12)15-11-7-3-2-4-8-11/h2-4,7-8,12-13H,5-6,9-10H2,1H3
InChIKeyXYHUJDYKSGEKEE-UHFFFAOYSA-N
XLogP2.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 52.39
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 (2-methoxycyclohexyl)selanylbenzene?
The IUPAC name of (2-methoxycyclohexyl)selanylbenzene (CID 12591704) is (2-methoxycyclohexyl)selanylbenzene.
What is the SMILES notation for (2-methoxycyclohexyl)selanylbenzene?
The canonical SMILES for (2-methoxycyclohexyl)selanylbenzene is COC1CCCCC1[Se]c1ccccc1.
What is the InChIKey of (2-methoxycyclohexyl)selanylbenzene?
The InChIKey is XYHUJDYKSGEKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OSe/c1-14-12-9-5-6-10-13(12)15-11-7-3-2-4-8-11/h2-4,7-8,12-13H,5-6,9-10H2,1H3.
What are the key properties of (2-methoxycyclohexyl)selanylbenzene?
(2-methoxycyclohexyl)selanylbenzene has a molecular weight of 269.25 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxycyclohexyl)selanylbenzene is sourced from PubChem (CID 12591704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).