4-(2-ethylhexyl)-2,3-dihydrothiophene

C12H22S — CID 174822260

IUPAC4-(2-ethylhexyl)-2,3-dihydrothiophene
SMILESCCCCC(CC)CC1=CSCC1
InChIInChI=1S/C12H22S/c1-3-5-6-11(4-2)9-12-7-8-13-10-12/h10-11H,3-9H2,1-2H3
InChIKeyHKDCXPTXRKGVOJ-UHFFFAOYSA-N
MW198.38 g/mol
LogP4.61
Rot. Bonds6

About 4-(2-ethylhexyl)-2,3-dihydrothiophene

4-(2-ethylhexyl)-2,3-dihydrothiophene (PubChem CID 174822260) has the molecular formula C12H22S and a molecular weight of 198.38 g/mol. Its IUPAC name is 4-(2-ethylhexyl)-2,3-dihydrothiophene.

Molecular Properties

Compound Name4-(2-ethylhexyl)-2,3-dihydrothiophene
PubChem CID174822260
Molecular FormulaC12H22S
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name4-(2-ethylhexyl)-2,3-dihydrothiophene
SMILESCCCCC(CC)CC1=CSCC1
InChIInChI=1S/C12H22S/c1-3-5-6-11(4-2)9-12-7-8-13-10-12/h10-11H,3-9H2,1-2H3
InChIKeyHKDCXPTXRKGVOJ-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

Analyze 4-(2-ethylhexyl)-2,3-dihydrothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Pentylsulfanylethenylcyclohexane
CID 58150596
6-Fluoro-3,6-dimethyl-2-methylsulfanylnon-1-ene
CID 155274520
(3S,4S,5S)-3,4-dimethyl-5-methylsulfanylnon-1-ene
CID 10910550
1-Methylidene-2-methylsulfanylcyclotridecane
CID 14529197
2-Methylsulfanylprop-2-enylcyclohexane
CID 85970198
(E)-2-methyl-1-propylsulfanyloct-1-ene
CID 132579845
(E)-1-hexylsulfanyl-2-methyloct-1-ene
CID 132579848
(4S,5S)-4-methyl-5-methylsulfanylnon-1-ene
CID 135060143
1-Methyl-4-(3-methylbut-3-enyl)thian-1-ium
CID 20664953
3-Ethyl-2-propyl-2,3-dihydrothiophene
CID 53699979
3-Ethyl-5-methylidenethiepane
CID 53782997
3-Butyl-5-methylidenethiepane
CID 53820002

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylhexyl)-2,3-dihydrothiophene?
The IUPAC name of 4-(2-ethylhexyl)-2,3-dihydrothiophene (CID 174822260) is 4-(2-ethylhexyl)-2,3-dihydrothiophene.
What is the SMILES notation for 4-(2-ethylhexyl)-2,3-dihydrothiophene?
The canonical SMILES for 4-(2-ethylhexyl)-2,3-dihydrothiophene is CCCCC(CC)CC1=CSCC1.
What is the InChIKey of 4-(2-ethylhexyl)-2,3-dihydrothiophene?
The InChIKey is HKDCXPTXRKGVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22S/c1-3-5-6-11(4-2)9-12-7-8-13-10-12/h10-11H,3-9H2,1-2H3.
What are the key properties of 4-(2-ethylhexyl)-2,3-dihydrothiophene?
4-(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 4-(2-ethylhexyl)-2,3-dihydrothiophene is sourced from PubChem (CID 174822260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).