2,3-di(propan-2-yl)thiophene;ethane;methane

C13H26S — CID 161153650

IUPAC2,3-di(propan-2-yl)thiophene;ethane;methane
SMILESC.CC.CC(C)c1ccsc1C(C)C
InChIInChI=1S/C10H16S.C2H6.CH4/c1-7(2)9-5-6-11-10(9)8(3)4;1-2;/h5-8H,1-4H3;1-2H3;1H4
InChIKeyUPAAKLUFJWTKQG-UHFFFAOYSA-N
MW214.42 g/mol
LogP5.66
Rot. Bonds2

About 2,3-di(propan-2-yl)thiophene;ethane;methane

2,3-di(propan-2-yl)thiophene;ethane;methane (PubChem CID 161153650) has the molecular formula C13H26S and a molecular weight of 214.42 g/mol. Its IUPAC name is 2,3-di(propan-2-yl)thiophene;ethane;methane.

Molecular Properties

Compound Name2,3-di(propan-2-yl)thiophene;ethane;methane
PubChem CID161153650
Molecular FormulaC13H26S
Molecular Weight214.42 g/mol
Exact Mass214.18
IUPAC Name2,3-di(propan-2-yl)thiophene;ethane;methane
SMILESC.CC.CC(C)c1ccsc1C(C)C
InChIInChI=1S/C10H16S.C2H6.CH4/c1-7(2)9-5-6-11-10(9)8(3)4;1-2;/h5-8H,1-4H3;1-2H3;1H4
InChIKeyUPAAKLUFJWTKQG-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.42
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-di(propan-2-yl)thiophene;ethane;methane?
The IUPAC name of 2,3-di(propan-2-yl)thiophene;ethane;methane (CID 161153650) is 2,3-di(propan-2-yl)thiophene;ethane;methane.
What is the SMILES notation for 2,3-di(propan-2-yl)thiophene;ethane;methane?
The canonical SMILES for 2,3-di(propan-2-yl)thiophene;ethane;methane is C.CC.CC(C)c1ccsc1C(C)C.
What is the InChIKey of 2,3-di(propan-2-yl)thiophene;ethane;methane?
The InChIKey is UPAAKLUFJWTKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S.C2H6.CH4/c1-7(2)9-5-6-11-10(9)8(3)4;1-2;/h5-8H,1-4H3;1-2H3;1H4.
What are the key properties of 2,3-di(propan-2-yl)thiophene;ethane;methane?
2,3-di(propan-2-yl)thiophene;ethane;methane has a molecular weight of 214.42 g/mol, XLogP of 5.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-yl)thiophene;ethane;methane is sourced from PubChem (CID 161153650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).