ethene;5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine

C9H12O2S — CID 142992149

IUPACethene;5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESC=C.Cc1scc2c1OCCO2
InChIInChI=1S/C7H8O2S.C2H4/c1-5-7-6(4-10-5)8-2-3-9-7;1-2/h4H,2-3H2,1H3;1-2H2
InChIKeyQNFOHFFHRRQVQA-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.63
Rot. Bonds

About ethene;5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine

ethene;5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 142992149) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is ethene;5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Nameethene;5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID142992149
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Nameethene;5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESC=C.Cc1scc2c1OCCO2
InChIInChI=1S/C7H8O2S.C2H4/c1-5-7-6(4-10-5)8-2-3-9-7;1-2/h4H,2-3H2,1H3;1-2H2
InChIKeyQNFOHFFHRRQVQA-UHFFFAOYSA-N
XLogP2.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethene;5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of ethene;5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 142992149) is ethene;5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for ethene;5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for ethene;5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine is C=C.Cc1scc2c1OCCO2.
What is the InChIKey of ethene;5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is QNFOHFFHRRQVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S.C2H4/c1-5-7-6(4-10-5)8-2-3-9-7;1-2/h4H,2-3H2,1H3;1-2H2.
What are the key properties of ethene;5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
ethene;5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 184.26 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 142992149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).