4-(2-ethenoxyethyl)-4-methylthiane 1-oxide

C10H18O2S — CID 176603860

IUPAC4-(2-ethenoxyethyl)-4-methylthiane 1-oxide
SMILESC=COCCC1(C)CCS(=O)CC1
InChIInChI=1S/C10H18O2S/c1-3-12-7-4-10(2)5-8-13(11)9-6-10/h3H,1,4-9H2,2H3
InChIKeyLPAPDSWIKWWVCA-UHFFFAOYSA-N
MW202.32 g/mol
LogP2.09
Rot. Bonds4

About 4-(2-ethenoxyethyl)-4-methylthiane 1-oxide

4-(2-ethenoxyethyl)-4-methylthiane 1-oxide (PubChem CID 176603860) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 4-(2-ethenoxyethyl)-4-methylthiane 1-oxide.

Molecular Properties

Compound Name4-(2-ethenoxyethyl)-4-methylthiane 1-oxide
PubChem CID176603860
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name4-(2-ethenoxyethyl)-4-methylthiane 1-oxide
SMILESC=COCCC1(C)CCS(=O)CC1
InChIInChI=1S/C10H18O2S/c1-3-12-7-4-10(2)5-8-13(11)9-6-10/h3H,1,4-9H2,2H3
InChIKeyLPAPDSWIKWWVCA-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
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

4-Methyl-4-(2-methylbutan-2-ylsulfonylmethyl)oxane
CID 68205798
4-(Tert-butylsulfonylmethyl)-4-methyloxane
CID 91145835
4-(Ethenoxymethyl)thiane 1-oxide
CID 176602942
2-(2-Ethenoxyethyl)-2-methyl-1,4-dithiane 1,4-dioxide
CID 176602971
3-(1-Ethenoxyethyl)thiane 1-oxide
CID 176603311
4-(1-Ethenoxyethyl)thiane 1-oxide
CID 176603313
3-(Ethenoxymethyl)-3-ethylthiane
CID 176603344
4-(Ethenoxymethyl)-4-ethylthiane
CID 176603389
2-(Ethenoxymethyl)-2-ethylthiane 1-oxide
CID 176603484
3-(Ethenoxymethyl)-3-ethylthiane 1-oxide
CID 176603530
4-(Ethenoxymethyl)-4-methylthiane 1-oxide
CID 176603579
4-(Ethenoxymethyl)-4-ethylthiane 1-oxide
CID 176603590

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethenoxyethyl)-4-methylthiane 1-oxide?
The IUPAC name of 4-(2-ethenoxyethyl)-4-methylthiane 1-oxide (CID 176603860) is 4-(2-ethenoxyethyl)-4-methylthiane 1-oxide.
What is the SMILES notation for 4-(2-ethenoxyethyl)-4-methylthiane 1-oxide?
The canonical SMILES for 4-(2-ethenoxyethyl)-4-methylthiane 1-oxide is C=COCCC1(C)CCS(=O)CC1.
What is the InChIKey of 4-(2-ethenoxyethyl)-4-methylthiane 1-oxide?
The InChIKey is LPAPDSWIKWWVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S/c1-3-12-7-4-10(2)5-8-13(11)9-6-10/h3H,1,4-9H2,2H3.
What are the key properties of 4-(2-ethenoxyethyl)-4-methylthiane 1-oxide?
4-(2-ethenoxyethyl)-4-methylthiane 1-oxide has a molecular weight of 202.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethenoxyethyl)-4-methylthiane 1-oxide is sourced from PubChem (CID 176603860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).