2-methyl-2-thiophen-2-yl-1,4-dioxane

C9H12O2S — CID 140537757

IUPAC2-methyl-2-thiophen-2-yl-1,4-dioxane
SMILESCC1(c2cccs2)COCCO1
InChIInChI=1S/C9H12O2S/c1-9(7-10-4-5-11-9)8-3-2-6-12-8/h2-3,6H,4-5,7H2,1H3
InChIKeyKRAOUWVLNIFQRV-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.01
Rot. Bonds1

About 2-methyl-2-thiophen-2-yl-1,4-dioxane

2-methyl-2-thiophen-2-yl-1,4-dioxane (PubChem CID 140537757) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-methyl-2-thiophen-2-yl-1,4-dioxane.

Molecular Properties

Compound Name2-methyl-2-thiophen-2-yl-1,4-dioxane
PubChem CID140537757
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name2-methyl-2-thiophen-2-yl-1,4-dioxane
SMILESCC1(c2cccs2)COCCO1
InChIInChI=1S/C9H12O2S/c1-9(7-10-4-5-11-9)8-3-2-6-12-8/h2-3,6H,4-5,7H2,1H3
InChIKeyKRAOUWVLNIFQRV-UHFFFAOYSA-N
XLogP2.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-phenyl-1,4-dioxane
CID 154111008
2-methyl-2-thiophen-2-yl-1,3-dioxole
CID 141238164
3-thiophen-2-yloxolan-3-ol
CID 63331558
2-(1-bromoethyl)-2-thiophen-2-yl-1,3-dioxolane
CID 71623753
2-propyl-2-thiophen-2-yl-1,3-dioxolane
CID 83957583
3-thiophen-2-yloxetan-3-amine
CID 83682056
3,3-dimethyl-1-thiophen-2-ylcyclobutane-1-carbonitrile
CID 64999992
(2S)-2-methyl-4,4-dithiophen-2-yloxolane
CID 155934701
2-(3-thiophen-2-yloxolan-3-yl)acetic acid
CID 83821135
2,5,5-trimethyl-2-thiophen-2-yl-1,3-oxazolidine
CID 117228973
2-methyl-2-thiophen-2-ylcyclohexan-1-one
CID 54201898
2-(4-thiophen-2-yloxan-4-yl)ethanamine
CID 83820999

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-thiophen-2-yl-1,4-dioxane?
The IUPAC name of 2-methyl-2-thiophen-2-yl-1,4-dioxane (CID 140537757) is 2-methyl-2-thiophen-2-yl-1,4-dioxane.
What is the SMILES notation for 2-methyl-2-thiophen-2-yl-1,4-dioxane?
The canonical SMILES for 2-methyl-2-thiophen-2-yl-1,4-dioxane is CC1(c2cccs2)COCCO1.
What is the InChIKey of 2-methyl-2-thiophen-2-yl-1,4-dioxane?
The InChIKey is KRAOUWVLNIFQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S/c1-9(7-10-4-5-11-9)8-3-2-6-12-8/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 2-methyl-2-thiophen-2-yl-1,4-dioxane?
2-methyl-2-thiophen-2-yl-1,4-dioxane has a molecular weight of 184.26 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-thiophen-2-yl-1,4-dioxane is sourced from PubChem (CID 140537757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).