2-(2-ethylhexyl)-2,3-dihydrothiophene

C12H22S — CID 90968260

IUPAC2-(2-ethylhexyl)-2,3-dihydrothiophene
SMILESCCCCC(CC)CC1CC=CS1
InChIInChI=1S/C12H22S/c1-3-5-7-11(4-2)10-12-8-6-9-13-12/h6,9,11-12H,3-5,7-8,10H2,1-2H3
InChIKeyNFRYYUUHUPCOSV-UHFFFAOYSA-N
MW198.38 g/mol
LogP4.61
Rot. Bonds6

About 2-(2-ethylhexyl)-2,3-dihydrothiophene

2-(2-ethylhexyl)-2,3-dihydrothiophene (PubChem CID 90968260) has the molecular formula C12H22S and a molecular weight of 198.38 g/mol. Its IUPAC name is 2-(2-ethylhexyl)-2,3-dihydrothiophene.

Molecular Properties

Compound Name2-(2-ethylhexyl)-2,3-dihydrothiophene
PubChem CID90968260
Molecular FormulaC12H22S
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name2-(2-ethylhexyl)-2,3-dihydrothiophene
SMILESCCCCC(CC)CC1CC=CS1
InChIInChI=1S/C12H22S/c1-3-5-7-11(4-2)10-12-8-6-9-13-12/h6,9,11-12H,3-5,7-8,10H2,1-2H3
InChIKeyNFRYYUUHUPCOSV-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexyl)-2,3-dihydrothiophene?
The IUPAC name of 2-(2-ethylhexyl)-2,3-dihydrothiophene (CID 90968260) is 2-(2-ethylhexyl)-2,3-dihydrothiophene.
What is the SMILES notation for 2-(2-ethylhexyl)-2,3-dihydrothiophene?
The canonical SMILES for 2-(2-ethylhexyl)-2,3-dihydrothiophene is CCCCC(CC)CC1CC=CS1.
What is the InChIKey of 2-(2-ethylhexyl)-2,3-dihydrothiophene?
The InChIKey is NFRYYUUHUPCOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22S/c1-3-5-7-11(4-2)10-12-8-6-9-13-12/h6,9,11-12H,3-5,7-8,10H2,1-2H3.
What are the key properties of 2-(2-ethylhexyl)-2,3-dihydrothiophene?
2-(2-ethylhexyl)-2,3-dihydrothiophene has a molecular weight of 198.38 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexyl)-2,3-dihydrothiophene is sourced from PubChem (CID 90968260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).