3-ethyl-2-methyl-2-propyl-3H-thiophene

C10H18S — CID 123754800

IUPAC3-ethyl-2-methyl-2-propyl-3H-thiophene
SMILESCCCC1(C)SC=CC1CC
InChIInChI=1S/C10H18S/c1-4-7-10(3)9(5-2)6-8-11-10/h6,8-9H,4-5,7H2,1-3H3
InChIKeyJIPJNIRAZKPIKV-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.83
Rot. Bonds3

About 3-ethyl-2-methyl-2-propyl-3H-thiophene

3-ethyl-2-methyl-2-propyl-3H-thiophene (PubChem CID 123754800) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is 3-ethyl-2-methyl-2-propyl-3H-thiophene.

Molecular Properties

Compound Name3-ethyl-2-methyl-2-propyl-3H-thiophene
PubChem CID123754800
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name3-ethyl-2-methyl-2-propyl-3H-thiophene
SMILESCCCC1(C)SC=CC1CC
InChIInChI=1S/C10H18S/c1-4-7-10(3)9(5-2)6-8-11-10/h6,8-9H,4-5,7H2,1-3H3
InChIKeyJIPJNIRAZKPIKV-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(E)-2-methylsulfanylethenyl]cyclohexane
CID 134986023
6-Fluoro-3,6-dimethyl-5-(methylsulfanylmethyl)hept-1-ene
CID 123687972
2-[(1R,2S)-2-fluoro-2-methylcyclopropyl]-2-methyl-3H-thiophene
CID 129270932
(3S,4S,5S)-3,4-dimethyl-5-methylsulfanylnon-1-ene
CID 10910550
5-Heptan-3-yl-2,3-dihydrothiophene
CID 100984300
[(Z)-2-methylsulfanylethenyl]cyclohexane
CID 134933564
(4S,5S)-4-methyl-5-methylsulfanylhex-1-ene
CID 134980226
2-Butylsulfanyl-5-methyl-3-prop-2-enylselenolane
CID 134989037
(4S,5S)-4-methyl-5-methylsulfanylnon-1-ene
CID 135060143
1-ethenyl-3-[(E)-2-methylsulfanylethenyl]cyclopentane
CID 138985191
Thiophene, tetrahydro-2-(1-methyl-2-propenyl)-
CID 12297805
2,2-ditert-butyl-3H-thiophene
CID 12386075

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-2-propyl-3H-thiophene?
The IUPAC name of 3-ethyl-2-methyl-2-propyl-3H-thiophene (CID 123754800) is 3-ethyl-2-methyl-2-propyl-3H-thiophene.
What is the SMILES notation for 3-ethyl-2-methyl-2-propyl-3H-thiophene?
The canonical SMILES for 3-ethyl-2-methyl-2-propyl-3H-thiophene is CCCC1(C)SC=CC1CC.
What is the InChIKey of 3-ethyl-2-methyl-2-propyl-3H-thiophene?
The InChIKey is JIPJNIRAZKPIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S/c1-4-7-10(3)9(5-2)6-8-11-10/h6,8-9H,4-5,7H2,1-3H3.
What are the key properties of 3-ethyl-2-methyl-2-propyl-3H-thiophene?
3-ethyl-2-methyl-2-propyl-3H-thiophene has a molecular weight of 170.32 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-2-propyl-3H-thiophene is sourced from PubChem (CID 123754800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).