1-[1-(2-methylprop-2-enoxy)ethylsulfonyl]pentane

C11H22O3S — CID 87903559

IUPAC1-[1-(2-methylprop-2-enoxy)ethylsulfonyl]pentane
SMILESC=C(C)COC(C)S(=O)(=O)CCCCC
InChIInChI=1S/C11H22O3S/c1-5-6-7-8-15(12,13)11(4)14-9-10(2)3/h11H,2,5-9H2,1,3-4H3
InChIKeyWLNNXUZOVNKQGM-UHFFFAOYSA-N
MW234.36 g/mol
LogP2.53
Rot. Bonds8

About 1-[1-(2-methylprop-2-enoxy)ethylsulfonyl]pentane

1-[1-(2-methylprop-2-enoxy)ethylsulfonyl]pentane (PubChem CID 87903559) has the molecular formula C11H22O3S and a molecular weight of 234.36 g/mol. Its IUPAC name is 1-[1-(2-methylprop-2-enoxy)ethylsulfonyl]pentane.

Molecular Properties

Compound Name1-[1-(2-methylprop-2-enoxy)ethylsulfonyl]pentane
PubChem CID87903559
Molecular FormulaC11H22O3S
Molecular Weight234.36 g/mol
Exact Mass234.13
IUPAC Name1-[1-(2-methylprop-2-enoxy)ethylsulfonyl]pentane
SMILESC=C(C)COC(C)S(=O)(=O)CCCCC
InChIInChI=1S/C11H22O3S/c1-5-6-7-8-15(12,13)11(4)14-9-10(2)3/h11H,2,5-9H2,1,3-4H3
InChIKeyWLNNXUZOVNKQGM-UHFFFAOYSA-N
XLogP2.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[1-(2-methylprop-2-enoxy)ethylsulfonyl]pentane?
The IUPAC name of 1-[1-(2-methylprop-2-enoxy)ethylsulfonyl]pentane (CID 87903559) is 1-[1-(2-methylprop-2-enoxy)ethylsulfonyl]pentane.
What is the SMILES notation for 1-[1-(2-methylprop-2-enoxy)ethylsulfonyl]pentane?
The canonical SMILES for 1-[1-(2-methylprop-2-enoxy)ethylsulfonyl]pentane is C=C(C)COC(C)S(=O)(=O)CCCCC.
What is the InChIKey of 1-[1-(2-methylprop-2-enoxy)ethylsulfonyl]pentane?
The InChIKey is WLNNXUZOVNKQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3S/c1-5-6-7-8-15(12,13)11(4)14-9-10(2)3/h11H,2,5-9H2,1,3-4H3.
What are the key properties of 1-[1-(2-methylprop-2-enoxy)ethylsulfonyl]pentane?
1-[1-(2-methylprop-2-enoxy)ethylsulfonyl]pentane has a molecular weight of 234.36 g/mol, XLogP of 2.53, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylprop-2-enoxy)ethylsulfonyl]pentane is sourced from PubChem (CID 87903559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).