(Z)-2-(4-chlorophenyl)selanyloct-2-enal

C14H17ClOSe — CID 139265076

IUPAC(Z)-2-(4-chlorophenyl)selanyloct-2-enal
SMILESCCCCC/C=C(/C=O)[Se]c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClOSe/c1-2-3-4-5-6-14(11-16)17-13-9-7-12(15)8-10-13/h6-11H,2-5H2,1H3/b14-6-
InChIKeyBCWQSTFZYKSSMJ-NSIKDUERSA-N
MW315.70 g/mol
LogP3.33
Rot. Bonds7

About (Z)-2-(4-chlorophenyl)selanyloct-2-enal

(Z)-2-(4-chlorophenyl)selanyloct-2-enal (PubChem CID 139265076) has the molecular formula C14H17ClOSe and a molecular weight of 315.70 g/mol. Its IUPAC name is (Z)-2-(4-chlorophenyl)selanyloct-2-enal.

Molecular Properties

Compound Name(Z)-2-(4-chlorophenyl)selanyloct-2-enal
PubChem CID139265076
Molecular FormulaC14H17ClOSe
Molecular Weight315.70 g/mol
Exact Mass316.01
IUPAC Name(Z)-2-(4-chlorophenyl)selanyloct-2-enal
SMILESCCCCC/C=C(/C=O)[Se]c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClOSe/c1-2-3-4-5-6-14(11-16)17-13-9-7-12(15)8-10-13/h6-11H,2-5H2,1H3/b14-6-
InChIKeyBCWQSTFZYKSSMJ-NSIKDUERSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.70
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-phenylselanylbut-2-enal
CID 12518100
(E)-2-phenylselanylbut-2-enal
CID 12518101
(Z)-2-(4-chlorophenyl)selanylbut-2-enal
CID 13111778
(Z)-2-(4-chlorophenyl)selanyl-3-phenylprop-2-enal
CID 13540955
ethyl (Z)-3-(4-chlorophenyl)selanyl-4-oxobut-2-enoate
CID 134897721
(Z)-2-(4-chlorophenyl)selanylpent-2-enal
CID 139265075
(Z)-4-(4-chlorophenyl)selanylnon-3-en-5-one
CID 139265078
2-(4-Chlorophenyl)selanyl-3-methylbut-2-enal
CID 139265079
(E)-2-phenylselanylpent-2-enal
CID 139265537
Se-(4-chlorophenyl) (E)-hept-2-eneselenoate
CID 10614263
Te-(4-chlorophenyl) (E)-oct-2-enetelluroate
CID 11740022
Te-(4-chlorophenyl) (E)-non-2-enetelluroate
CID 101028836

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-chlorophenyl)selanyloct-2-enal?
The IUPAC name of (Z)-2-(4-chlorophenyl)selanyloct-2-enal (CID 139265076) is (Z)-2-(4-chlorophenyl)selanyloct-2-enal.
What is the SMILES notation for (Z)-2-(4-chlorophenyl)selanyloct-2-enal?
The canonical SMILES for (Z)-2-(4-chlorophenyl)selanyloct-2-enal is CCCCC/C=C(/C=O)[Se]c1ccc(Cl)cc1.
What is the InChIKey of (Z)-2-(4-chlorophenyl)selanyloct-2-enal?
The InChIKey is BCWQSTFZYKSSMJ-NSIKDUERSA-N. The full InChI is InChI=1S/C14H17ClOSe/c1-2-3-4-5-6-14(11-16)17-13-9-7-12(15)8-10-13/h6-11H,2-5H2,1H3/b14-6-.
What are the key properties of (Z)-2-(4-chlorophenyl)selanyloct-2-enal?
(Z)-2-(4-chlorophenyl)selanyloct-2-enal has a molecular weight of 315.70 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-chlorophenyl)selanyloct-2-enal is sourced from PubChem (CID 139265076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).