1-[(E)-3-prop-2-enylsulfinylprop-1-enyl]sulfinylpentane

C11H20O2S2 — CID 6449030

IUPAC1-[(E)-3-prop-2-enylsulfinylprop-1-enyl]sulfinylpentane
SMILESC=CCS(=O)C/C=C/S(=O)CCCCC
InChIInChI=1S/C11H20O2S2/c1-3-5-6-9-15(13)11-7-10-14(12)8-4-2/h4,7,11H,2-3,5-6,8-10H2,1H3/b11-7+
InChIKeyFVUVXDWBDFOJTR-YRNVUSSQSA-N
MW248.41 g/mol
LogP2.37
Rot. Bonds9

About 1-[(E)-3-prop-2-enylsulfinylprop-1-enyl]sulfinylpentane

1-[(E)-3-prop-2-enylsulfinylprop-1-enyl]sulfinylpentane (PubChem CID 6449030) has the molecular formula C11H20O2S2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-[(E)-3-prop-2-enylsulfinylprop-1-enyl]sulfinylpentane.

Molecular Properties

Compound Name1-[(E)-3-prop-2-enylsulfinylprop-1-enyl]sulfinylpentane
PubChem CID6449030
Molecular FormulaC11H20O2S2
Molecular Weight248.41 g/mol
Exact Mass248.09
IUPAC Name1-[(E)-3-prop-2-enylsulfinylprop-1-enyl]sulfinylpentane
SMILESC=CCS(=O)C/C=C/S(=O)CCCCC
InChIInChI=1S/C11H20O2S2/c1-3-5-6-9-15(13)11-7-10-14(12)8-4-2/h4,7,11H,2-3,5-6,8-10H2,1H3/b11-7+
InChIKeyFVUVXDWBDFOJTR-YRNVUSSQSA-N
XLogP2.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-prop-2-enylsulfinylprop-1-enyl]sulfinylpentane?
The IUPAC name of 1-[(E)-3-prop-2-enylsulfinylprop-1-enyl]sulfinylpentane (CID 6449030) is 1-[(E)-3-prop-2-enylsulfinylprop-1-enyl]sulfinylpentane.
What is the SMILES notation for 1-[(E)-3-prop-2-enylsulfinylprop-1-enyl]sulfinylpentane?
The canonical SMILES for 1-[(E)-3-prop-2-enylsulfinylprop-1-enyl]sulfinylpentane is C=CCS(=O)C/C=C/S(=O)CCCCC.
What is the InChIKey of 1-[(E)-3-prop-2-enylsulfinylprop-1-enyl]sulfinylpentane?
The InChIKey is FVUVXDWBDFOJTR-YRNVUSSQSA-N. The full InChI is InChI=1S/C11H20O2S2/c1-3-5-6-9-15(13)11-7-10-14(12)8-4-2/h4,7,11H,2-3,5-6,8-10H2,1H3/b11-7+.
What are the key properties of 1-[(E)-3-prop-2-enylsulfinylprop-1-enyl]sulfinylpentane?
1-[(E)-3-prop-2-enylsulfinylprop-1-enyl]sulfinylpentane has a molecular weight of 248.41 g/mol, XLogP of 2.37, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-prop-2-enylsulfinylprop-1-enyl]sulfinylpentane is sourced from PubChem (CID 6449030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).