3-(2-ethylhexoxymethyl)-2,3-dihydrothiophene

C13H24OS — CID 175550643

IUPAC3-(2-ethylhexoxymethyl)-2,3-dihydrothiophene
SMILESCCCCC(CC)COCC1C=CSC1
InChIInChI=1S/C13H24OS/c1-3-5-6-12(4-2)9-14-10-13-7-8-15-11-13/h7-8,12-13H,3-6,9-11H2,1-2H3
InChIKeyFSGABRRQZNYZNF-UHFFFAOYSA-N
MW228.40 g/mol
LogP4.10
Rot. Bonds8

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

3-(2-ethylhexoxymethyl)-2,3-dihydrothiophene (PubChem CID 175550643) has the molecular formula C13H24OS and a molecular weight of 228.40 g/mol. Its IUPAC name is 3-(2-ethylhexoxymethyl)-2,3-dihydrothiophene.

Molecular Properties

Compound Name3-(2-ethylhexoxymethyl)-2,3-dihydrothiophene
PubChem CID175550643
Molecular FormulaC13H24OS
Molecular Weight228.40 g/mol
Exact Mass228.15
IUPAC Name3-(2-ethylhexoxymethyl)-2,3-dihydrothiophene
SMILESCCCCC(CC)COCC1C=CSC1
InChIInChI=1S/C13H24OS/c1-3-5-6-12(4-2)9-14-10-13-7-8-15-11-13/h7-8,12-13H,3-6,9-11H2,1-2H3
InChIKeyFSGABRRQZNYZNF-UHFFFAOYSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylhexoxymethyl)-2,3-dihydrothiophene?
The IUPAC name of 3-(2-ethylhexoxymethyl)-2,3-dihydrothiophene (CID 175550643) is 3-(2-ethylhexoxymethyl)-2,3-dihydrothiophene.
What is the SMILES notation for 3-(2-ethylhexoxymethyl)-2,3-dihydrothiophene?
The canonical SMILES for 3-(2-ethylhexoxymethyl)-2,3-dihydrothiophene is CCCCC(CC)COCC1C=CSC1.
What is the InChIKey of 3-(2-ethylhexoxymethyl)-2,3-dihydrothiophene?
The InChIKey is FSGABRRQZNYZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OS/c1-3-5-6-12(4-2)9-14-10-13-7-8-15-11-13/h7-8,12-13H,3-6,9-11H2,1-2H3.
What are the key properties of 3-(2-ethylhexoxymethyl)-2,3-dihydrothiophene?
3-(2-ethylhexoxymethyl)-2,3-dihydrothiophene has a molecular weight of 228.40 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexoxymethyl)-2,3-dihydrothiophene is sourced from PubChem (CID 175550643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).