3-[2-(2-prop-2-enoxyethylsulfonyl)ethoxy]prop-1-ene

C10H18O4S — CID 90011238

IUPAC3-[2-(2-prop-2-enoxyethylsulfonyl)ethoxy]prop-1-ene
SMILESC=CCOCCS(=O)(=O)CCOCC=C
InChIInChI=1S/C10H18O4S/c1-3-5-13-7-9-15(11,12)10-8-14-6-4-2/h3-4H,1-2,5-10H2
InChIKeyUVPZEMJIOTXGLT-UHFFFAOYSA-N
MW234.32 g/mol
LogP0.81
Rot. Bonds10

About 3-[2-(2-prop-2-enoxyethylsulfonyl)ethoxy]prop-1-ene

3-[2-(2-prop-2-enoxyethylsulfonyl)ethoxy]prop-1-ene (PubChem CID 90011238) has the molecular formula C10H18O4S and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-[2-(2-prop-2-enoxyethylsulfonyl)ethoxy]prop-1-ene.

Molecular Properties

Compound Name3-[2-(2-prop-2-enoxyethylsulfonyl)ethoxy]prop-1-ene
PubChem CID90011238
Molecular FormulaC10H18O4S
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Name3-[2-(2-prop-2-enoxyethylsulfonyl)ethoxy]prop-1-ene
SMILESC=CCOCCS(=O)(=O)CCOCC=C
InChIInChI=1S/C10H18O4S/c1-3-5-13-7-9-15(11,12)10-8-14-6-4-2/h3-4H,1-2,5-10H2
InChIKeyUVPZEMJIOTXGLT-UHFFFAOYSA-N
XLogP0.81
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-[2-(2-prop-2-enoxyethylsulfonyl)ethoxy]prop-1-ene?
The IUPAC name of 3-[2-(2-prop-2-enoxyethylsulfonyl)ethoxy]prop-1-ene (CID 90011238) is 3-[2-(2-prop-2-enoxyethylsulfonyl)ethoxy]prop-1-ene.
What is the SMILES notation for 3-[2-(2-prop-2-enoxyethylsulfonyl)ethoxy]prop-1-ene?
The canonical SMILES for 3-[2-(2-prop-2-enoxyethylsulfonyl)ethoxy]prop-1-ene is C=CCOCCS(=O)(=O)CCOCC=C.
What is the InChIKey of 3-[2-(2-prop-2-enoxyethylsulfonyl)ethoxy]prop-1-ene?
The InChIKey is UVPZEMJIOTXGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4S/c1-3-5-13-7-9-15(11,12)10-8-14-6-4-2/h3-4H,1-2,5-10H2.
What are the key properties of 3-[2-(2-prop-2-enoxyethylsulfonyl)ethoxy]prop-1-ene?
3-[2-(2-prop-2-enoxyethylsulfonyl)ethoxy]prop-1-ene has a molecular weight of 234.32 g/mol, XLogP of 0.81, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-prop-2-enoxyethylsulfonyl)ethoxy]prop-1-ene is sourced from PubChem (CID 90011238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).