3-methyl-2-(4-methylpentan-2-yl)thiophene

C11H18S — CID 58489062

IUPAC3-methyl-2-(4-methylpentan-2-yl)thiophene
SMILESCc1ccsc1C(C)CC(C)C
InChIInChI=1S/C11H18S/c1-8(2)7-10(4)11-9(3)5-6-12-11/h5-6,8,10H,7H2,1-4H3
InChIKeyNQJHFROVKHSYAT-UHFFFAOYSA-N
MW182.33 g/mol
LogP4.21
Rot. Bonds3

About 3-methyl-2-(4-methylpentan-2-yl)thiophene

3-methyl-2-(4-methylpentan-2-yl)thiophene (PubChem CID 58489062) has the molecular formula C11H18S and a molecular weight of 182.33 g/mol. Its IUPAC name is 3-methyl-2-(4-methylpentan-2-yl)thiophene.

Molecular Properties

Compound Name3-methyl-2-(4-methylpentan-2-yl)thiophene
PubChem CID58489062
Molecular FormulaC11H18S
Molecular Weight182.33 g/mol
Exact Mass182.11
IUPAC Name3-methyl-2-(4-methylpentan-2-yl)thiophene
SMILESCc1ccsc1C(C)CC(C)C
InChIInChI=1S/C11H18S/c1-8(2)7-10(4)11-9(3)5-6-12-11/h5-6,8,10H,7H2,1-4H3
InChIKeyNQJHFROVKHSYAT-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-2-pentan-2-ylthiophene
CID 59774172
(1S)-4-methyl-1-(3-methylthiophen-2-yl)pentan-1-amine;hydrochloride
CID 171222736
3-methyl-2-(3-methylthiophen-2-yl)butan-1-ol
CID 116964294
3-methyl-1-(3-methylthiophen-2-yl)pentan-1-ol
CID 65148368
2-(1-chloro-2-methylpropyl)-3-methylthiophene
CID 126973864
(1R)-3,3-difluoro-1-(3-methylthiophen-2-yl)propan-1-amine
CID 171313604
N,3-dimethyl-2-(3-methylthiophen-2-yl)butan-1-amine
CID 83831443
2-(3-methylthiophen-2-yl)propanenitrile
CID 63992078
2-[(4-butan-2-ylphenyl)-chloromethyl]-3-methylthiophene
CID 63429995
2-(3-methylthiophen-2-yl)butanoic acid
CID 79991313
N-[1-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 63992990
3-ethyl-1-(3-methylthiophen-2-yl)pentan-1-ol
CID 82927974

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methylpentan-2-yl)thiophene?
The IUPAC name of 3-methyl-2-(4-methylpentan-2-yl)thiophene (CID 58489062) is 3-methyl-2-(4-methylpentan-2-yl)thiophene.
What is the SMILES notation for 3-methyl-2-(4-methylpentan-2-yl)thiophene?
The canonical SMILES for 3-methyl-2-(4-methylpentan-2-yl)thiophene is Cc1ccsc1C(C)CC(C)C.
What is the InChIKey of 3-methyl-2-(4-methylpentan-2-yl)thiophene?
The InChIKey is NQJHFROVKHSYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18S/c1-8(2)7-10(4)11-9(3)5-6-12-11/h5-6,8,10H,7H2,1-4H3.
What are the key properties of 3-methyl-2-(4-methylpentan-2-yl)thiophene?
3-methyl-2-(4-methylpentan-2-yl)thiophene has a molecular weight of 182.33 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methylpentan-2-yl)thiophene is sourced from PubChem (CID 58489062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).