1-chloro-1-propylselanylbuta-1,3-diene

C7H11ClSe — CID 71382574

IUPAC1-chloro-1-propylselanylbuta-1,3-diene
SMILESC=CC=C(Cl)[Se]CCC
InChIInChI=1S/C7H11ClSe/c1-3-5-7(8)9-6-4-2/h3,5H,1,4,6H2,2H3
InChIKeyWHDLJYHAALPJTR-UHFFFAOYSA-N
MW209.58 g/mol
LogP2.79
Rot. Bonds4

About 1-chloro-1-propylselanylbuta-1,3-diene

1-chloro-1-propylselanylbuta-1,3-diene (PubChem CID 71382574) has the molecular formula C7H11ClSe and a molecular weight of 209.58 g/mol. Its IUPAC name is 1-chloro-1-propylselanylbuta-1,3-diene.

Molecular Properties

Compound Name1-chloro-1-propylselanylbuta-1,3-diene
PubChem CID71382574
Molecular FormulaC7H11ClSe
Molecular Weight209.58 g/mol
Exact Mass209.97
IUPAC Name1-chloro-1-propylselanylbuta-1,3-diene
SMILESC=CC=C(Cl)[Se]CCC
InChIInChI=1S/C7H11ClSe/c1-3-5-7(8)9-6-4-2/h3,5H,1,4,6H2,2H3
InChIKeyWHDLJYHAALPJTR-UHFFFAOYSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.58
LogP ≤ 52.79
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

1-chloro-1-methylselanylbuta-1,3-diene
CID 71382576
(3Z)-hepta-1,3-dien-4-ol
CID 23128228
1,1-diethoxybuta-1,3-diene
CID 19609197
N-[(2Z)-penta-2,4-dien-2-yl]pentanamide
CID 134525821
butane;(2E)-N-methoxypenta-2,4-dien-2-amine
CID 142050769
butane;(3E)-4-methoxypenta-1,3-diene
CID 142879851
(E)-1-chloro-1-ethylselanylpent-1-ene
CID 134920853
(3E)-4-fluorohexa-1,3-diene
CID 88586520
(3Z)-3-ethylhexa-1,3,5-triene
CID 22044475
(2E)-penta-2,4-dien-2-amine;propane
CID 143277472
(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 142915962
(1Z)-1-chloro-1-iodobuta-1,3-diene
CID 87933089

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-propylselanylbuta-1,3-diene?
The IUPAC name of 1-chloro-1-propylselanylbuta-1,3-diene (CID 71382574) is 1-chloro-1-propylselanylbuta-1,3-diene.
What is the SMILES notation for 1-chloro-1-propylselanylbuta-1,3-diene?
The canonical SMILES for 1-chloro-1-propylselanylbuta-1,3-diene is C=CC=C(Cl)[Se]CCC.
What is the InChIKey of 1-chloro-1-propylselanylbuta-1,3-diene?
The InChIKey is WHDLJYHAALPJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClSe/c1-3-5-7(8)9-6-4-2/h3,5H,1,4,6H2,2H3.
What are the key properties of 1-chloro-1-propylselanylbuta-1,3-diene?
1-chloro-1-propylselanylbuta-1,3-diene has a molecular weight of 209.58 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-propylselanylbuta-1,3-diene is sourced from PubChem (CID 71382574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).