3,5,7-trimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine

C9H12O2S — CID 18716603

IUPAC3,5,7-trimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCc1sc(C)c2c1OCC(C)O2
InChIInChI=1S/C9H12O2S/c1-5-4-10-8-6(2)12-7(3)9(8)11-5/h5H,4H2,1-3H3
InChIKeyQMEBGDGIUPHVFJ-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.52
Rot. Bonds

About 3,5,7-trimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine

3,5,7-trimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 18716603) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is 3,5,7-trimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name3,5,7-trimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID18716603
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name3,5,7-trimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCc1sc(C)c2c1OCC(C)O2
InChIInChI=1S/C9H12O2S/c1-5-4-10-8-6(2)12-7(3)9(8)11-5/h5H,4H2,1-3H3
InChIKeyQMEBGDGIUPHVFJ-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 134969073
Thieno[3,4-b]-1,4-dioxin, 5-hexyl-2,3-dihydro-
CID 11020600
5,7-Dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 18716605
5-Methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 23553881
(3,4-Dibutoxy-5-methylthiophen-2-yl)-trimethylsilane
CID 59664288
k01Prr15 1a
CID 101549569
5-Ethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 68087843
3,3-Difluoro-6,8-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine
CID 130182524
(3-Fluoro-6,8-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepin-3-yl)phosphane
CID 130182634
5,7-Dimethyl-3-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 145344236
2,5-Dimethyl-3,4-bis(3,3,3-trifluoropropoxy)thiophene
CID 145344251
Tributyl-(7-dodecyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane
CID 135078401

Frequently Asked Questions

What is the IUPAC name of 3,5,7-trimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 3,5,7-trimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 18716603) is 3,5,7-trimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 3,5,7-trimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 3,5,7-trimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine is Cc1sc(C)c2c1OCC(C)O2.
What is the InChIKey of 3,5,7-trimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is QMEBGDGIUPHVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S/c1-5-4-10-8-6(2)12-7(3)9(8)11-5/h5H,4H2,1-3H3.
What are the key properties of 3,5,7-trimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
3,5,7-trimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 184.26 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 18716603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).