2-(2-ethenoxyethyl)-2-methylthiane 1,1-dioxide

C10H18O3S — CID 176603113

IUPAC2-(2-ethenoxyethyl)-2-methylthiane 1,1-dioxide
SMILESC=COCCC1(C)CCCCS1(=O)=O
InChIInChI=1S/C10H18O3S/c1-3-13-8-7-10(2)6-4-5-9-14(10,11)12/h3H,1,4-9H2,2H3
InChIKeyPRPFWOXHOHQJMC-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.89
Rot. Bonds4

About 2-(2-ethenoxyethyl)-2-methylthiane 1,1-dioxide

2-(2-ethenoxyethyl)-2-methylthiane 1,1-dioxide (PubChem CID 176603113) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-(2-ethenoxyethyl)-2-methylthiane 1,1-dioxide.

Molecular Properties

Compound Name2-(2-ethenoxyethyl)-2-methylthiane 1,1-dioxide
PubChem CID176603113
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name2-(2-ethenoxyethyl)-2-methylthiane 1,1-dioxide
SMILESC=COCCC1(C)CCCCS1(=O)=O
InChIInChI=1S/C10H18O3S/c1-3-13-8-7-10(2)6-4-5-9-14(10,11)12/h3H,1,4-9H2,2H3
InChIKeyPRPFWOXHOHQJMC-UHFFFAOYSA-N
XLogP1.89
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(Methoxymethyl)-1-(2-methylpropylsulfonyl)cyclohexane
CID 58815117
1-(Ethoxymethyl)-1-ethylsulfonylcyclohexane
CID 70672847
1-Ethylsulfonyl-1-(methoxymethyl)cyclohexane
CID 117757767
3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide
CID 176602912
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1-oxide
CID 176603004
2-(2-Ethenoxyethyl)-2-methylthiepane 1,1-dioxide
CID 176603019
3-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide
CID 176603078
2-(3-Ethenoxypropyl)thiane 1,1-dioxide
CID 176603087
2-(3-Ethenoxypropyl)-2-ethylthiolane 1-oxide
CID 176603096
3-[2-(2-Methylprop-1-enoxy)ethyl]thiane 1,1-dioxide
CID 176603119
2-(Ethenoxymethyl)-2-ethylthiane
CID 176603135
4-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide
CID 176603206

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenoxyethyl)-2-methylthiane 1,1-dioxide?
The IUPAC name of 2-(2-ethenoxyethyl)-2-methylthiane 1,1-dioxide (CID 176603113) is 2-(2-ethenoxyethyl)-2-methylthiane 1,1-dioxide.
What is the SMILES notation for 2-(2-ethenoxyethyl)-2-methylthiane 1,1-dioxide?
The canonical SMILES for 2-(2-ethenoxyethyl)-2-methylthiane 1,1-dioxide is C=COCCC1(C)CCCCS1(=O)=O.
What is the InChIKey of 2-(2-ethenoxyethyl)-2-methylthiane 1,1-dioxide?
The InChIKey is PRPFWOXHOHQJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c1-3-13-8-7-10(2)6-4-5-9-14(10,11)12/h3H,1,4-9H2,2H3.
What are the key properties of 2-(2-ethenoxyethyl)-2-methylthiane 1,1-dioxide?
2-(2-ethenoxyethyl)-2-methylthiane 1,1-dioxide has a molecular weight of 218.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenoxyethyl)-2-methylthiane 1,1-dioxide is sourced from PubChem (CID 176603113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).