2-(2-ethenoxyethyl)-2-methylthiane 1-oxide

C10H18O2S — CID 176604516

IUPAC2-(2-ethenoxyethyl)-2-methylthiane 1-oxide
SMILESC=COCCC1(C)CCCCS1=O
InChIInChI=1S/C10H18O2S/c1-3-12-8-7-10(2)6-4-5-9-13(10)11/h3H,1,4-9H2,2H3
InChIKeyRJQPYLYNNLFJDP-UHFFFAOYSA-N
MW202.32 g/mol
LogP2.23
Rot. Bonds4

About 2-(2-ethenoxyethyl)-2-methylthiane 1-oxide

2-(2-ethenoxyethyl)-2-methylthiane 1-oxide (PubChem CID 176604516) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-(2-ethenoxyethyl)-2-methylthiane 1-oxide.

Molecular Properties

Compound Name2-(2-ethenoxyethyl)-2-methylthiane 1-oxide
PubChem CID176604516
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name2-(2-ethenoxyethyl)-2-methylthiane 1-oxide
SMILESC=COCCC1(C)CCCCS1=O
InChIInChI=1S/C10H18O2S/c1-3-12-8-7-10(2)6-4-5-9-13(10)11/h3H,1,4-9H2,2H3
InChIKeyRJQPYLYNNLFJDP-UHFFFAOYSA-N
XLogP2.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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-(Ethenoxymethyl)-2-ethylthiocane 1-oxide
CID 176603011
3-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide
CID 176603078
2-(3-Ethenoxypropyl)-2-ethylthiolane 1-oxide
CID 176603096
2-(2-Ethenoxyethyl)-2-methylthiane 1,1-dioxide
CID 176603113
2-(Ethenoxymethyl)-2-ethylthiane
CID 176603135
2-(Ethenoxymethyl)-2-methylthiocane 1-oxide
CID 176603149
2-(2-Ethenoxyethyl)-2-methylthiepane 1-oxide
CID 176603186
3-(Ethenoxymethyl)-3-ethylthiepane 1-oxide
CID 176603212
2-(3-Ethenoxypropyl)-2-ethyl-1,4-dithiane
CID 176603224
3-(1-Ethenoxyethyl)thiane 1-oxide
CID 176603311

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenoxyethyl)-2-methylthiane 1-oxide?
The IUPAC name of 2-(2-ethenoxyethyl)-2-methylthiane 1-oxide (CID 176604516) is 2-(2-ethenoxyethyl)-2-methylthiane 1-oxide.
What is the SMILES notation for 2-(2-ethenoxyethyl)-2-methylthiane 1-oxide?
The canonical SMILES for 2-(2-ethenoxyethyl)-2-methylthiane 1-oxide is C=COCCC1(C)CCCCS1=O.
What is the InChIKey of 2-(2-ethenoxyethyl)-2-methylthiane 1-oxide?
The InChIKey is RJQPYLYNNLFJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S/c1-3-12-8-7-10(2)6-4-5-9-13(10)11/h3H,1,4-9H2,2H3.
What are the key properties of 2-(2-ethenoxyethyl)-2-methylthiane 1-oxide?
2-(2-ethenoxyethyl)-2-methylthiane 1-oxide has a molecular weight of 202.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenoxyethyl)-2-methylthiane 1-oxide is sourced from PubChem (CID 176604516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).