1-chloro-1-methylselanylbuta-1,3-diene

C5H7ClSe — CID 71382576

IUPAC1-chloro-1-methylselanylbuta-1,3-diene
SMILESC=CC=C(Cl)[Se]C
InChIInChI=1S/C5H7ClSe/c1-3-4-5(6)7-2/h3-4H,1H2,2H3
InChIKeyJHOUZYCOXWOECB-UHFFFAOYSA-N
MW181.52 g/mol
LogP2.00
Rot. Bonds2

About 1-chloro-1-methylselanylbuta-1,3-diene

1-chloro-1-methylselanylbuta-1,3-diene (PubChem CID 71382576) has the molecular formula C5H7ClSe and a molecular weight of 181.52 g/mol. Its IUPAC name is 1-chloro-1-methylselanylbuta-1,3-diene.

Molecular Properties

Compound Name1-chloro-1-methylselanylbuta-1,3-diene
PubChem CID71382576
Molecular FormulaC5H7ClSe
Molecular Weight181.52 g/mol
Exact Mass181.94
IUPAC Name1-chloro-1-methylselanylbuta-1,3-diene
SMILESC=CC=C(Cl)[Se]C
InChIInChI=1S/C5H7ClSe/c1-3-4-5(6)7-2/h3-4H,1H2,2H3
InChIKeyJHOUZYCOXWOECB-UHFFFAOYSA-N
XLogP2.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.52
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 71382574
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3-chloro-2-fluorohexa-1,3,5-triene
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(3E)-2-chlorohexa-1,3,5-trien-3-amine
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(3E,6Z)-4,6,7-trichloro-5-methylideneocta-1,3,6-triene
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(3E)-3-methylhexa-1,3,5-triene
CID 5367380
[(3E)-3-chlorohexa-1,3,5-trien-2-yl]-methyldiazene
CID 142981168
chloro-(3-chlorohexa-1,3,5-trien-2-yl)-methylidene-oxo-λ6-sulfane
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(3E,5E)-4-bromo-6-chloro-7-methylocta-1,3,5-triene
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N'-[(1E)-1-chlorobuta-1,3-dienyl]carbamimidoyl chloride
CID 173296957
(2E)-2-[(Z)-1,2-difluoroethenyl]penta-2,4-dienoyl chloride
CID 142265402

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-methylselanylbuta-1,3-diene?
The IUPAC name of 1-chloro-1-methylselanylbuta-1,3-diene (CID 71382576) is 1-chloro-1-methylselanylbuta-1,3-diene.
What is the SMILES notation for 1-chloro-1-methylselanylbuta-1,3-diene?
The canonical SMILES for 1-chloro-1-methylselanylbuta-1,3-diene is C=CC=C(Cl)[Se]C.
What is the InChIKey of 1-chloro-1-methylselanylbuta-1,3-diene?
The InChIKey is JHOUZYCOXWOECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClSe/c1-3-4-5(6)7-2/h3-4H,1H2,2H3.
What are the key properties of 1-chloro-1-methylselanylbuta-1,3-diene?
1-chloro-1-methylselanylbuta-1,3-diene has a molecular weight of 181.52 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-methylselanylbuta-1,3-diene is sourced from PubChem (CID 71382576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).