2-phenyl-1-propylsulfanylpent-4-ene-1-selone

C14H18SSe — CID 11066415

IUPAC2-phenyl-1-propylsulfanylpent-4-ene-1-selone
SMILESC=CCC(C(=[Se])SCCC)c1ccccc1
InChIInChI=1S/C14H18SSe/c1-3-8-13(14(16)15-11-4-2)12-9-6-5-7-10-12/h3,5-7,9-10,13H,1,4,8,11H2,2H3
InChIKeySWELSYIYZSHMSK-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.79
Rot. Bonds7

About 2-phenyl-1-propylsulfanylpent-4-ene-1-selone

2-phenyl-1-propylsulfanylpent-4-ene-1-selone (PubChem CID 11066415) has the molecular formula C14H18SSe and a molecular weight of 297.33 g/mol. Its IUPAC name is 2-phenyl-1-propylsulfanylpent-4-ene-1-selone.

Molecular Properties

Compound Name2-phenyl-1-propylsulfanylpent-4-ene-1-selone
PubChem CID11066415
Molecular FormulaC14H18SSe
Molecular Weight297.33 g/mol
Exact Mass298.03
IUPAC Name2-phenyl-1-propylsulfanylpent-4-ene-1-selone
SMILESC=CCC(C(=[Se])SCCC)c1ccccc1
InChIInChI=1S/C14H18SSe/c1-3-8-13(14(16)15-11-4-2)12-9-6-5-7-10-12/h3,5-7,9-10,13H,1,4,8,11H2,2H3
InChIKeySWELSYIYZSHMSK-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-phenyl-1-propylsulfanylpent-4-ene-1-selone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-1-propan-2-ylsulfanylpent-4-ene-1-selone
CID 101019943
N,N-dimethyl-2-phenylpent-4-eneselenoamide
CID 11323079
4,6-diphenylnona-1,8-dien-5-one
CID 69419927
3-phenylhexa-1,5-dien-2-ol
CID 173444348
ethyl 3-oxo-4-phenylhept-6-enoate
CID 11746930
(2R,3S)-2-phenylhex-5-en-3-ol
CID 12633863
oct-1-en-4-ylbenzene
CID 22247233
[(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene
CID 97429057
(2S,3R)-3-phenylhex-5-en-2-ol
CID 129363226
(2S)-1,1-diphenylpent-4-en-2-ol
CID 11390776
[(1Z)-1-methylsulfanyl-3-phenylhexa-1,5-dien-2-yl] 2,2-dimethylpropanoate
CID 135022213
(5R)-7-phenyldec-9-en-5-ol
CID 134965025

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-propylsulfanylpent-4-ene-1-selone?
The IUPAC name of 2-phenyl-1-propylsulfanylpent-4-ene-1-selone (CID 11066415) is 2-phenyl-1-propylsulfanylpent-4-ene-1-selone.
What is the SMILES notation for 2-phenyl-1-propylsulfanylpent-4-ene-1-selone?
The canonical SMILES for 2-phenyl-1-propylsulfanylpent-4-ene-1-selone is C=CCC(C(=[Se])SCCC)c1ccccc1.
What is the InChIKey of 2-phenyl-1-propylsulfanylpent-4-ene-1-selone?
The InChIKey is SWELSYIYZSHMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18SSe/c1-3-8-13(14(16)15-11-4-2)12-9-6-5-7-10-12/h3,5-7,9-10,13H,1,4,8,11H2,2H3.
What are the key properties of 2-phenyl-1-propylsulfanylpent-4-ene-1-selone?
2-phenyl-1-propylsulfanylpent-4-ene-1-selone has a molecular weight of 297.33 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-propylsulfanylpent-4-ene-1-selone is sourced from PubChem (CID 11066415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).