1-ethenylsulfinylpentane

C7H14OS — CID 71391132

IUPAC1-ethenylsulfinylpentane
SMILESC=CS(=O)CCCCC
InChIInChI=1S/C7H14OS/c1-3-5-6-7-9(8)4-2/h4H,2-3,5-7H2,1H3
InChIKeyUDTZHDZEUHPZKW-UHFFFAOYSA-N
MW146.25 g/mol
LogP2.07
Rot. Bonds5

About 1-ethenylsulfinylpentane

1-ethenylsulfinylpentane (PubChem CID 71391132) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 1-ethenylsulfinylpentane.

Molecular Properties

Compound Name1-ethenylsulfinylpentane
PubChem CID71391132
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name1-ethenylsulfinylpentane
SMILESC=CS(=O)CCCCC
InChIInChI=1S/C7H14OS/c1-3-5-6-7-9(8)4-2/h4H,2-3,5-7H2,1H3
InChIKeyUDTZHDZEUHPZKW-UHFFFAOYSA-N
XLogP2.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Propane, 1-(ethenylsulfinyl)-
CID 143855
Vinyl ethyl sulfoxide
CID 182087
Butyl vinyl sulfone
CID 283730
2-Ethenylsulfinyl-2-methylpropane
CID 534766
Methyl-amyl-sulfoxid
CID 13954230
Butane, 1-(ethenylsulfinyl)-
CID 12174977
1-Ethenylsulfinylheptane
CID 305581
Propane, 2-(ethenylsulfinyl)-
CID 5323637
1-(Vinylsulfonyl)propane
CID 5323640
(R)-2-Methyl-2-(vinylsulfinyl)propane
CID 14434779
1-[(S)-ethenylsulfinyl]ethane
CID 15938994
2-[(S)-ethenylsulfinyl]propane
CID 15938995

Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfinylpentane?
The IUPAC name of 1-ethenylsulfinylpentane (CID 71391132) is 1-ethenylsulfinylpentane.
What is the SMILES notation for 1-ethenylsulfinylpentane?
The canonical SMILES for 1-ethenylsulfinylpentane is C=CS(=O)CCCCC.
What is the InChIKey of 1-ethenylsulfinylpentane?
The InChIKey is UDTZHDZEUHPZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-3-5-6-7-9(8)4-2/h4H,2-3,5-7H2,1H3.
What are the key properties of 1-ethenylsulfinylpentane?
1-ethenylsulfinylpentane has a molecular weight of 146.25 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfinylpentane is sourced from PubChem (CID 71391132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).