3-(3-ethyl-3-methylpentan-2-yl)thiophene

C12H20S — CID 139314791

IUPAC3-(3-ethyl-3-methylpentan-2-yl)thiophene
SMILESCCC(C)(CC)C(C)c1ccsc1
InChIInChI=1S/C12H20S/c1-5-12(4,6-2)10(3)11-7-8-13-9-11/h7-10H,5-6H2,1-4H3
InChIKeyPPIFYCCOQGXZRP-UHFFFAOYSA-N
MW196.36 g/mol
LogP4.68
Rot. Bonds4

About 3-(3-ethyl-3-methylpentan-2-yl)thiophene

3-(3-ethyl-3-methylpentan-2-yl)thiophene (PubChem CID 139314791) has the molecular formula C12H20S and a molecular weight of 196.36 g/mol. Its IUPAC name is 3-(3-ethyl-3-methylpentan-2-yl)thiophene.

Molecular Properties

Compound Name3-(3-ethyl-3-methylpentan-2-yl)thiophene
PubChem CID139314791
Molecular FormulaC12H20S
Molecular Weight196.36 g/mol
Exact Mass196.13
IUPAC Name3-(3-ethyl-3-methylpentan-2-yl)thiophene
SMILESCCC(C)(CC)C(C)c1ccsc1
InChIInChI=1S/C12H20S/c1-5-12(4,6-2)10(3)11-7-8-13-9-11/h7-10H,5-6H2,1-4H3
InChIKeyPPIFYCCOQGXZRP-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(3-ethyl-3-methylpentan-2-yl)thiophene 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

3-(3,3-dimethylbutan-2-yl)thiophene;ethane
CID 143105363
3-(1,1,1-trifluoropropan-2-yl)thiophene
CID 83381744
3-methyl-N-(1-thiophen-3-ylethyl)pentan-3-amine
CID 115920356
3-(4,4-dimethylhex-1-en-3-yl)thiophene
CID 146517196
1-N-methyl-1-N-(2-methylbutan-2-yl)-1-thiophen-3-ylpropane-1,2-diamine
CID 63983723
2,2-dimethyl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62090002
2-methyl-1-thiophen-3-ylbutan-1-ol
CID 65099391
(1S)-1-thiophen-3-ylethanol
CID 11297979
1-thiophen-3-ylethanol
CID 12744375
2-methyl-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 60819374
3-hexan-2-ylthiophene
CID 18454785
2-methyl-3-(thiophen-3-ylmethyl)pentan-3-amine
CID 62622769

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-3-methylpentan-2-yl)thiophene?
The IUPAC name of 3-(3-ethyl-3-methylpentan-2-yl)thiophene (CID 139314791) is 3-(3-ethyl-3-methylpentan-2-yl)thiophene.
What is the SMILES notation for 3-(3-ethyl-3-methylpentan-2-yl)thiophene?
The canonical SMILES for 3-(3-ethyl-3-methylpentan-2-yl)thiophene is CCC(C)(CC)C(C)c1ccsc1.
What is the InChIKey of 3-(3-ethyl-3-methylpentan-2-yl)thiophene?
The InChIKey is PPIFYCCOQGXZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20S/c1-5-12(4,6-2)10(3)11-7-8-13-9-11/h7-10H,5-6H2,1-4H3.
What are the key properties of 3-(3-ethyl-3-methylpentan-2-yl)thiophene?
3-(3-ethyl-3-methylpentan-2-yl)thiophene has a molecular weight of 196.36 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-3-methylpentan-2-yl)thiophene is sourced from PubChem (CID 139314791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).