3-(2-methylpropoxy)-2-[4-(2-methylpropoxy)thiophen-2-yl]thiophene

C16H22O2S2 — CID 102044769

IUPAC3-(2-methylpropoxy)-2-[4-(2-methylpropoxy)thiophen-2-yl]thiophene
SMILESCC(C)COc1csc(-c2sccc2OCC(C)C)c1
InChIInChI=1S/C16H22O2S2/c1-11(2)8-17-13-7-15(20-10-13)16-14(5-6-19-16)18-9-12(3)4/h5-7,10-12H,8-9H2,1-4H3
InChIKeyAQNKQBXPLORAIA-UHFFFAOYSA-N
MW310.48 g/mol
LogP5.55
Rot. Bonds7

About 3-(2-methylpropoxy)-2-[4-(2-methylpropoxy)thiophen-2-yl]thiophene

3-(2-methylpropoxy)-2-[4-(2-methylpropoxy)thiophen-2-yl]thiophene (PubChem CID 102044769) has the molecular formula C16H22O2S2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-2-[4-(2-methylpropoxy)thiophen-2-yl]thiophene.

Molecular Properties

Compound Name3-(2-methylpropoxy)-2-[4-(2-methylpropoxy)thiophen-2-yl]thiophene
PubChem CID102044769
Molecular FormulaC16H22O2S2
Molecular Weight310.48 g/mol
Exact Mass310.11
IUPAC Name3-(2-methylpropoxy)-2-[4-(2-methylpropoxy)thiophen-2-yl]thiophene
SMILESCC(C)COc1csc(-c2sccc2OCC(C)C)c1
InChIInChI=1S/C16H22O2S2/c1-11(2)8-17-13-7-15(20-10-13)16-14(5-6-19-16)18-9-12(3)4/h5-7,10-12H,8-9H2,1-4H3
InChIKeyAQNKQBXPLORAIA-UHFFFAOYSA-N
XLogP5.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylpropoxy)-2-thiophen-2-ylthiophene
CID 150125475
3-methoxy-2-[4-methoxy-5-[4-methoxy-5-[4-methoxy-5-[4-methoxy-5-(4-methoxythiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(3-methoxythiophen-2-yl)thiophene
CID 139244781
[2,4,6-tris(2-methylpropoxy)phenyl]phosphanide
CID 141016614
2-methyl-1-[4-(2-methylpropoxy)phenyl]propan-2-amine
CID 95444849
4-[4-(2-methylpropoxy)phenyl]thiophen-2-amine
CID 82479976
4-(2-methylpropoxy)-N-(2-methylpropyl)aniline
CID 83946363
1-(2-chloroethyl)-4-(2-methylpropoxy)benzene
CID 96658060
2-[4-(2-methylpropoxy)phenyl]ethanethiol
CID 95441132
1-[4-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 54798957
4-(bromomethyl)-2-methoxy-1-(2-methylpropoxy)benzene
CID 43141726
1-[(2R)-2-methylbutyl]-4-(2-methylpropoxy)benzene
CID 144625021
2,4-dimethyl-6-(2-methylpropoxy)phenol
CID 171479386

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-2-[4-(2-methylpropoxy)thiophen-2-yl]thiophene?
The IUPAC name of 3-(2-methylpropoxy)-2-[4-(2-methylpropoxy)thiophen-2-yl]thiophene (CID 102044769) is 3-(2-methylpropoxy)-2-[4-(2-methylpropoxy)thiophen-2-yl]thiophene.
What is the SMILES notation for 3-(2-methylpropoxy)-2-[4-(2-methylpropoxy)thiophen-2-yl]thiophene?
The canonical SMILES for 3-(2-methylpropoxy)-2-[4-(2-methylpropoxy)thiophen-2-yl]thiophene is CC(C)COc1csc(-c2sccc2OCC(C)C)c1.
What is the InChIKey of 3-(2-methylpropoxy)-2-[4-(2-methylpropoxy)thiophen-2-yl]thiophene?
The InChIKey is AQNKQBXPLORAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2S2/c1-11(2)8-17-13-7-15(20-10-13)16-14(5-6-19-16)18-9-12(3)4/h5-7,10-12H,8-9H2,1-4H3.
What are the key properties of 3-(2-methylpropoxy)-2-[4-(2-methylpropoxy)thiophen-2-yl]thiophene?
3-(2-methylpropoxy)-2-[4-(2-methylpropoxy)thiophen-2-yl]thiophene has a molecular weight of 310.48 g/mol, XLogP of 5.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-2-[4-(2-methylpropoxy)thiophen-2-yl]thiophene is sourced from PubChem (CID 102044769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).