(3-methylidenecyclohexyl)selanylbenzene

C13H16Se — CID 10977904

IUPAC(3-methylidenecyclohexyl)selanylbenzene
SMILESC=C1CCCC([Se]c2ccccc2)C1
InChIInChI=1S/C13H16Se/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-4,7-8,13H,1,5-6,9-10H2
InChIKeyZDASTPIILJRBOR-UHFFFAOYSA-N
MW251.23 g/mol
LogP2.93
Rot. Bonds2

About (3-methylidenecyclohexyl)selanylbenzene

(3-methylidenecyclohexyl)selanylbenzene (PubChem CID 10977904) has the molecular formula C13H16Se and a molecular weight of 251.23 g/mol. Its IUPAC name is (3-methylidenecyclohexyl)selanylbenzene.

Molecular Properties

Compound Name(3-methylidenecyclohexyl)selanylbenzene
PubChem CID10977904
Molecular FormulaC13H16Se
Molecular Weight251.23 g/mol
Exact Mass252.04
IUPAC Name(3-methylidenecyclohexyl)selanylbenzene
SMILESC=C1CCCC([Se]c2ccccc2)C1
InChIInChI=1S/C13H16Se/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-4,7-8,13H,1,5-6,9-10H2
InChIKeyZDASTPIILJRBOR-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-phenylselanyl-1,2,3,4-tetrahydronaphthalene
CID 10613263
cis-(1S,2R)-2-phenylselanylcyclopentan-1-ol
CID 12779062
2-phenylselanylcyclohexan-1-ol
CID 12531121
trans-(1S,2S)-2-phenylselanylcyclopentan-1-ol
CID 71414227
trans-(2S,3R)-3-phenyl-2-phenylselanylcyclohexan-1-one
CID 23254001
3-methylidenecyclohexan-1-amine
CID 67574918
1-chloro-3-methylidenecyclohexane
CID 23528892
1-chloro-2-phenylselanylcyclododecane
CID 12550112
2-phenylselanyloxane
CID 11118188
1-methyl-3-(3-methylidenecyclohexyl)sulfanylbenzene
CID 142055381
2-methoxy-5-methylidene-3-phenylselanyloxane
CID 101142786
7-phenylselanyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
CID 12654992

Frequently Asked Questions

What is the IUPAC name of (3-methylidenecyclohexyl)selanylbenzene?
The IUPAC name of (3-methylidenecyclohexyl)selanylbenzene (CID 10977904) is (3-methylidenecyclohexyl)selanylbenzene.
What is the SMILES notation for (3-methylidenecyclohexyl)selanylbenzene?
The canonical SMILES for (3-methylidenecyclohexyl)selanylbenzene is C=C1CCCC([Se]c2ccccc2)C1.
What is the InChIKey of (3-methylidenecyclohexyl)selanylbenzene?
The InChIKey is ZDASTPIILJRBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Se/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-4,7-8,13H,1,5-6,9-10H2.
What are the key properties of (3-methylidenecyclohexyl)selanylbenzene?
(3-methylidenecyclohexyl)selanylbenzene has a molecular weight of 251.23 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylidenecyclohexyl)selanylbenzene is sourced from PubChem (CID 10977904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).