4-[(E)-but-2-enyl]sulfinyloxane

C9H16O2S — CID 131235657

IUPAC4-[(E)-but-2-enyl]sulfinyloxane
SMILESC/C=C/CS(=O)C1CCOCC1
InChIInChI=1S/C9H16O2S/c1-2-3-8-12(10)9-4-6-11-7-5-9/h2-3,9H,4-8H2,1H3/b3-2+
InChIKeyMWAZNHWAJZRHPD-NSCUHMNNSA-N
MW188.29 g/mol
LogP1.49
Rot. Bonds3

About 4-[(E)-but-2-enyl]sulfinyloxane

4-[(E)-but-2-enyl]sulfinyloxane (PubChem CID 131235657) has the molecular formula C9H16O2S and a molecular weight of 188.29 g/mol. Its IUPAC name is 4-[(E)-but-2-enyl]sulfinyloxane.

Molecular Properties

Compound Name4-[(E)-but-2-enyl]sulfinyloxane
PubChem CID131235657
Molecular FormulaC9H16O2S
Molecular Weight188.29 g/mol
Exact Mass188.09
IUPAC Name4-[(E)-but-2-enyl]sulfinyloxane
SMILESC/C=C/CS(=O)C1CCOCC1
InChIInChI=1S/C9H16O2S/c1-2-3-8-12(10)9-4-6-11-7-5-9/h2-3,9H,4-8H2,1H3/b3-2+
InChIKeyMWAZNHWAJZRHPD-NSCUHMNNSA-N
XLogP1.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-2-enyl]sulfinyloxane?
The IUPAC name of 4-[(E)-but-2-enyl]sulfinyloxane (CID 131235657) is 4-[(E)-but-2-enyl]sulfinyloxane.
What is the SMILES notation for 4-[(E)-but-2-enyl]sulfinyloxane?
The canonical SMILES for 4-[(E)-but-2-enyl]sulfinyloxane is C/C=C/CS(=O)C1CCOCC1.
What is the InChIKey of 4-[(E)-but-2-enyl]sulfinyloxane?
The InChIKey is MWAZNHWAJZRHPD-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H16O2S/c1-2-3-8-12(10)9-4-6-11-7-5-9/h2-3,9H,4-8H2,1H3/b3-2+.
What are the key properties of 4-[(E)-but-2-enyl]sulfinyloxane?
4-[(E)-but-2-enyl]sulfinyloxane has a molecular weight of 188.29 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-2-enyl]sulfinyloxane is sourced from PubChem (CID 131235657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).