2,2-dimethylbutane;ethane;methane;thiophene

C13H28S — CID 159232598

IUPAC2,2-dimethylbutane;ethane;methane;thiophene
SMILESC.CC.CCC(C)(C)C.c1ccsc1
InChIInChI=1S/C6H14.C4H4S.C2H6.CH4/c1-5-6(2,3)4;1-2-4-5-3-1;1-2;/h5H2,1-4H3;1-4H;1-2H3;1H4
InChIKeyKTBZYYQKSHQAHH-UHFFFAOYSA-N
MW216.43 g/mol
LogP5.85
Rot. Bonds

About 2,2-dimethylbutane;ethane;methane;thiophene

2,2-dimethylbutane;ethane;methane;thiophene (PubChem CID 159232598) has the molecular formula C13H28S and a molecular weight of 216.43 g/mol. Its IUPAC name is 2,2-dimethylbutane;ethane;methane;thiophene.

Molecular Properties

Compound Name2,2-dimethylbutane;ethane;methane;thiophene
PubChem CID159232598
Molecular FormulaC13H28S
Molecular Weight216.43 g/mol
Exact Mass216.19
IUPAC Name2,2-dimethylbutane;ethane;methane;thiophene
SMILESC.CC.CCC(C)(C)C.c1ccsc1
InChIInChI=1S/C6H14.C4H4S.C2H6.CH4/c1-5-6(2,3)4;1-2-4-5-3-1;1-2;/h5H2,1-4H3;1-4H;1-2H3;1H4
InChIKeyKTBZYYQKSHQAHH-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.43
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutane;ethane;methane;thiophene?
The IUPAC name of 2,2-dimethylbutane;ethane;methane;thiophene (CID 159232598) is 2,2-dimethylbutane;ethane;methane;thiophene.
What is the SMILES notation for 2,2-dimethylbutane;ethane;methane;thiophene?
The canonical SMILES for 2,2-dimethylbutane;ethane;methane;thiophene is C.CC.CCC(C)(C)C.c1ccsc1.
What is the InChIKey of 2,2-dimethylbutane;ethane;methane;thiophene?
The InChIKey is KTBZYYQKSHQAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C4H4S.C2H6.CH4/c1-5-6(2,3)4;1-2-4-5-3-1;1-2;/h5H2,1-4H3;1-4H;1-2H3;1H4.
What are the key properties of 2,2-dimethylbutane;ethane;methane;thiophene?
2,2-dimethylbutane;ethane;methane;thiophene has a molecular weight of 216.43 g/mol, XLogP of 5.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutane;ethane;methane;thiophene is sourced from PubChem (CID 159232598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).