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

C13H24OS — CID 91365829

IUPAC2-(2-ethylhexoxymethyl)-2,3-dihydrothiophene
SMILESCCCCC(CC)COCC1CC=CS1
InChIInChI=1S/C13H24OS/c1-3-5-7-12(4-2)10-14-11-13-8-6-9-15-13/h6,9,12-13H,3-5,7-8,10-11H2,1-2H3
InChIKeyIKZSSTLCLQPXSW-UHFFFAOYSA-N
MW228.40 g/mol
LogP4.24
Rot. Bonds8

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

2-(2-ethylhexoxymethyl)-2,3-dihydrothiophene (PubChem CID 91365829) has the molecular formula C13H24OS and a molecular weight of 228.40 g/mol. Its IUPAC name is 2-(2-ethylhexoxymethyl)-2,3-dihydrothiophene.

Molecular Properties

Compound Name2-(2-ethylhexoxymethyl)-2,3-dihydrothiophene
PubChem CID91365829
Molecular FormulaC13H24OS
Molecular Weight228.40 g/mol
Exact Mass228.15
IUPAC Name2-(2-ethylhexoxymethyl)-2,3-dihydrothiophene
SMILESCCCCC(CC)COCC1CC=CS1
InChIInChI=1S/C13H24OS/c1-3-5-7-12(4-2)10-14-11-13-8-6-9-15-13/h6,9,12-13H,3-5,7-8,10-11H2,1-2H3
InChIKeyIKZSSTLCLQPXSW-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Propoxy-3-propyl-2,3-dihydrothiophene
CID 57105878
2-(methoxymethyl)-2-propyl-3H-thiophene
CID 70131569
2-(Nonoxymethyl)-2,3-dihydrothiophene
CID 91232222
2-(Heptoxymethyl)-2,3-dihydrothiophene
CID 91304634
2-(Octoxymethyl)-2,3-dihydrothiophene
CID 91418087
2-(Hexoxymethyl)-2,3-dihydrothiophene
CID 91432347
2-(3-Methoxybutyl)-3-methyl-2,3-dihydrothiophene
CID 169626353
3-(2,3-Dihydrothiophen-2-yl)oxolane
CID 174995378
3-(2-Ethylhexoxymethyl)-2,3-dihydrothiophene
CID 175550643
2-(3,7-Dimethyloct-6-enyl)-1,3-oxathiolane
CID 101267568
1-[2-(3-methylheptadecoxy)ethyl]-3,4-dihydro-2H-thiopyran-1-ium
CID 175878713
1-[2-(3-methyltridecoxy)ethyl]-3,4-dihydro-2H-thiopyran-1-ium
CID 175878717

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexoxymethyl)-2,3-dihydrothiophene?
The IUPAC name of 2-(2-ethylhexoxymethyl)-2,3-dihydrothiophene (CID 91365829) is 2-(2-ethylhexoxymethyl)-2,3-dihydrothiophene.
What is the SMILES notation for 2-(2-ethylhexoxymethyl)-2,3-dihydrothiophene?
The canonical SMILES for 2-(2-ethylhexoxymethyl)-2,3-dihydrothiophene is CCCCC(CC)COCC1CC=CS1.
What is the InChIKey of 2-(2-ethylhexoxymethyl)-2,3-dihydrothiophene?
The InChIKey is IKZSSTLCLQPXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OS/c1-3-5-7-12(4-2)10-14-11-13-8-6-9-15-13/h6,9,12-13H,3-5,7-8,10-11H2,1-2H3.
What are the key properties of 2-(2-ethylhexoxymethyl)-2,3-dihydrothiophene?
2-(2-ethylhexoxymethyl)-2,3-dihydrothiophene has a molecular weight of 228.40 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexoxymethyl)-2,3-dihydrothiophene is sourced from PubChem (CID 91365829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).