2-phenyl-1-propan-2-ylsulfanylpent-4-ene-1-selone

C14H18SSe — CID 101019943

IUPAC2-phenyl-1-propan-2-ylsulfanylpent-4-ene-1-selone
SMILESC=CCC(C(=[Se])SC(C)C)c1ccccc1
InChIInChI=1S/C14H18SSe/c1-4-8-13(14(16)15-11(2)3)12-9-6-5-7-10-12/h4-7,9-11,13H,1,8H2,2-3H3
InChIKeyHFCMMMSKFXUANN-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.79
Rot. Bonds6

About 2-phenyl-1-propan-2-ylsulfanylpent-4-ene-1-selone

2-phenyl-1-propan-2-ylsulfanylpent-4-ene-1-selone (PubChem CID 101019943) has the molecular formula C14H18SSe and a molecular weight of 297.33 g/mol. Its IUPAC name is 2-phenyl-1-propan-2-ylsulfanylpent-4-ene-1-selone.

Molecular Properties

Compound Name2-phenyl-1-propan-2-ylsulfanylpent-4-ene-1-selone
PubChem CID101019943
Molecular FormulaC14H18SSe
Molecular Weight297.33 g/mol
Exact Mass298.03
IUPAC Name2-phenyl-1-propan-2-ylsulfanylpent-4-ene-1-selone
SMILESC=CCC(C(=[Se])SC(C)C)c1ccccc1
InChIInChI=1S/C14H18SSe/c1-4-8-13(14(16)15-11(2)3)12-9-6-5-7-10-12/h4-7,9-11,13H,1,8H2,2-3H3
InChIKeyHFCMMMSKFXUANN-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-propan-2-ylsulfanylpent-4-ene-1-selone?
The IUPAC name of 2-phenyl-1-propan-2-ylsulfanylpent-4-ene-1-selone (CID 101019943) is 2-phenyl-1-propan-2-ylsulfanylpent-4-ene-1-selone.
What is the SMILES notation for 2-phenyl-1-propan-2-ylsulfanylpent-4-ene-1-selone?
The canonical SMILES for 2-phenyl-1-propan-2-ylsulfanylpent-4-ene-1-selone is C=CCC(C(=[Se])SC(C)C)c1ccccc1.
What is the InChIKey of 2-phenyl-1-propan-2-ylsulfanylpent-4-ene-1-selone?
The InChIKey is HFCMMMSKFXUANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18SSe/c1-4-8-13(14(16)15-11(2)3)12-9-6-5-7-10-12/h4-7,9-11,13H,1,8H2,2-3H3.
What are the key properties of 2-phenyl-1-propan-2-ylsulfanylpent-4-ene-1-selone?
2-phenyl-1-propan-2-ylsulfanylpent-4-ene-1-selone has a molecular weight of 297.33 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-propan-2-ylsulfanylpent-4-ene-1-selone is sourced from PubChem (CID 101019943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).