(1Z)-1,2-bis(butylselanyl)penta-1,4-diene

C13H24Se2 — CID 15325789

IUPAC(1Z)-1,2-bis(butylselanyl)penta-1,4-diene
SMILESC=CC/C(=C/[Se]CCCC)[Se]CCCC
InChIInChI=1S/C13H24Se2/c1-4-7-10-14-12-13(9-6-3)15-11-8-5-2/h6,12H,3-5,7-11H2,1-2H3/b13-12-
InChIKeyOBZYVAVIJZLAOZ-SEYXRHQNSA-N
MW338.26 g/mol
LogP4.25
Rot. Bonds10

About (1Z)-1,2-bis(butylselanyl)penta-1,4-diene

(1Z)-1,2-bis(butylselanyl)penta-1,4-diene (PubChem CID 15325789) has the molecular formula C13H24Se2 and a molecular weight of 338.26 g/mol. Its IUPAC name is (1Z)-1,2-bis(butylselanyl)penta-1,4-diene.

Molecular Properties

Compound Name(1Z)-1,2-bis(butylselanyl)penta-1,4-diene
PubChem CID15325789
Molecular FormulaC13H24Se2
Molecular Weight338.26 g/mol
Exact Mass340.02
IUPAC Name(1Z)-1,2-bis(butylselanyl)penta-1,4-diene
SMILESC=CC/C(=C/[Se]CCCC)[Se]CCCC
InChIInChI=1S/C13H24Se2/c1-4-7-10-14-12-13(9-6-3)15-11-8-5-2/h6,12H,3-5,7-11H2,1-2H3/b13-12-
InChIKeyOBZYVAVIJZLAOZ-SEYXRHQNSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2,3-bis(propylselanyl)prop-2-en-1-ol
CID 100987304
(Z)-1-butylselanyl-2-butylsulfanyldodec-1-ene
CID 11315334
ethenol;hexane
CID 22706833
4-propylundeca-1,4-diene
CID 175604845
(4E)-4-propylundeca-1,4-diene
CID 134903488
(E)-5-ethenyl-6-prop-2-enyldec-5-ene
CID 101214127
(NZ)-N-non-1-en-4-ylidenehydroxylamine
CID 88738841
ethenol;heptadecane
CID 158851930
but-1-ene;ethane;pentane
CID 142205498
(Z)-dec-5-ene;hex-1-ene
CID 141304086
butan-1-ol;prop-2-en-1-ol
CID 87275291
N-nonadec-1-en-4-ylidenehydroxylamine
CID 174804170

Frequently Asked Questions

What is the IUPAC name of (1Z)-1,2-bis(butylselanyl)penta-1,4-diene?
The IUPAC name of (1Z)-1,2-bis(butylselanyl)penta-1,4-diene (CID 15325789) is (1Z)-1,2-bis(butylselanyl)penta-1,4-diene.
What is the SMILES notation for (1Z)-1,2-bis(butylselanyl)penta-1,4-diene?
The canonical SMILES for (1Z)-1,2-bis(butylselanyl)penta-1,4-diene is C=CC/C(=C/[Se]CCCC)[Se]CCCC.
What is the InChIKey of (1Z)-1,2-bis(butylselanyl)penta-1,4-diene?
The InChIKey is OBZYVAVIJZLAOZ-SEYXRHQNSA-N. The full InChI is InChI=1S/C13H24Se2/c1-4-7-10-14-12-13(9-6-3)15-11-8-5-2/h6,12H,3-5,7-11H2,1-2H3/b13-12-.
What are the key properties of (1Z)-1,2-bis(butylselanyl)penta-1,4-diene?
(1Z)-1,2-bis(butylselanyl)penta-1,4-diene has a molecular weight of 338.26 g/mol, XLogP of 4.25, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1,2-bis(butylselanyl)penta-1,4-diene is sourced from PubChem (CID 15325789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).