2-(7-methoxy-3,7-dimethyloctoxy)-4-methylthiophene

C16H28O2S — CID 70608743

IUPAC2-(7-methoxy-3,7-dimethyloctoxy)-4-methylthiophene
SMILESCOC(C)(C)CCCC(C)CCOc1cc(C)cs1
InChIInChI=1S/C16H28O2S/c1-13(7-6-9-16(3,4)17-5)8-10-18-15-11-14(2)12-19-15/h11-13H,6-10H2,1-5H3
InChIKeyQQUUCIRVHSBOKG-UHFFFAOYSA-N
MW284.46 g/mol
LogP5.06
Rot. Bonds9

About 2-(7-methoxy-3,7-dimethyloctoxy)-4-methylthiophene

2-(7-methoxy-3,7-dimethyloctoxy)-4-methylthiophene (PubChem CID 70608743) has the molecular formula C16H28O2S and a molecular weight of 284.46 g/mol. Its IUPAC name is 2-(7-methoxy-3,7-dimethyloctoxy)-4-methylthiophene.

Molecular Properties

Compound Name2-(7-methoxy-3,7-dimethyloctoxy)-4-methylthiophene
PubChem CID70608743
Molecular FormulaC16H28O2S
Molecular Weight284.46 g/mol
Exact Mass284.18
IUPAC Name2-(7-methoxy-3,7-dimethyloctoxy)-4-methylthiophene
SMILESCOC(C)(C)CCCC(C)CCOc1cc(C)cs1
InChIInChI=1S/C16H28O2S/c1-13(7-6-9-16(3,4)17-5)8-10-18-15-11-14(2)12-19-15/h11-13H,6-10H2,1-5H3
InChIKeyQQUUCIRVHSBOKG-UHFFFAOYSA-N
XLogP5.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.46
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 19760673
CID 19760673
CID 146171347
CID 146171347
CID 19760689
CID 19760689
CID 19779084
CID 19779084
CID 21441816
CID 21441816
CID 21441822
CID 21441822
CID 21441827
CID 21441827
CID 21450453
CID 21450453
CID 21654185
CID 21654185
CID 21654186
CID 21654186
CID 23049606
CID 23049606
CID 57098546
CID 57098546

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-3,7-dimethyloctoxy)-4-methylthiophene?
The IUPAC name of 2-(7-methoxy-3,7-dimethyloctoxy)-4-methylthiophene (CID 70608743) is 2-(7-methoxy-3,7-dimethyloctoxy)-4-methylthiophene.
What is the SMILES notation for 2-(7-methoxy-3,7-dimethyloctoxy)-4-methylthiophene?
The canonical SMILES for 2-(7-methoxy-3,7-dimethyloctoxy)-4-methylthiophene is COC(C)(C)CCCC(C)CCOc1cc(C)cs1.
What is the InChIKey of 2-(7-methoxy-3,7-dimethyloctoxy)-4-methylthiophene?
The InChIKey is QQUUCIRVHSBOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2S/c1-13(7-6-9-16(3,4)17-5)8-10-18-15-11-14(2)12-19-15/h11-13H,6-10H2,1-5H3.
What are the key properties of 2-(7-methoxy-3,7-dimethyloctoxy)-4-methylthiophene?
2-(7-methoxy-3,7-dimethyloctoxy)-4-methylthiophene has a molecular weight of 284.46 g/mol, XLogP of 5.06, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-3,7-dimethyloctoxy)-4-methylthiophene is sourced from PubChem (CID 70608743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).