2-[(3R,4S)-3,4-dimethylcyclopentyl]-5-methylthiophene

C12H18S — CID 118423631

IUPAC2-[(3R,4S)-3,4-dimethylcyclopentyl]-5-methylthiophene
SMILESCc1ccc(C2C[C@@H](C)[C@@H](C)C2)s1
InChIInChI=1S/C12H18S/c1-8-6-11(7-9(8)2)12-5-4-10(3)13-12/h4-5,8-9,11H,6-7H2,1-3H3/t8-,9+,11?
InChIKeyDTYGZURWENAZFY-SLHIUPAKSA-N
MW194.34 g/mol
LogP4.21
Rot. Bonds1

About 2-[(3R,4S)-3,4-dimethylcyclopentyl]-5-methylthiophene

2-[(3R,4S)-3,4-dimethylcyclopentyl]-5-methylthiophene (PubChem CID 118423631) has the molecular formula C12H18S and a molecular weight of 194.34 g/mol. Its IUPAC name is 2-[(3R,4S)-3,4-dimethylcyclopentyl]-5-methylthiophene.

Molecular Properties

Compound Name2-[(3R,4S)-3,4-dimethylcyclopentyl]-5-methylthiophene
PubChem CID118423631
Molecular FormulaC12H18S
Molecular Weight194.34 g/mol
Exact Mass194.11
IUPAC Name2-[(3R,4S)-3,4-dimethylcyclopentyl]-5-methylthiophene
SMILESCc1ccc(C2C[C@@H](C)[C@@H](C)C2)s1
InChIInChI=1S/C12H18S/c1-8-6-11(7-9(8)2)12-5-4-10(3)13-12/h4-5,8-9,11H,6-7H2,1-3H3/t8-,9+,11?
InChIKeyDTYGZURWENAZFY-SLHIUPAKSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.34
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3,4-dimethylcyclopentyl]-5-methylthiophene?
The IUPAC name of 2-[(3R,4S)-3,4-dimethylcyclopentyl]-5-methylthiophene (CID 118423631) is 2-[(3R,4S)-3,4-dimethylcyclopentyl]-5-methylthiophene.
What is the SMILES notation for 2-[(3R,4S)-3,4-dimethylcyclopentyl]-5-methylthiophene?
The canonical SMILES for 2-[(3R,4S)-3,4-dimethylcyclopentyl]-5-methylthiophene is Cc1ccc(C2C[C@@H](C)[C@@H](C)C2)s1.
What is the InChIKey of 2-[(3R,4S)-3,4-dimethylcyclopentyl]-5-methylthiophene?
The InChIKey is DTYGZURWENAZFY-SLHIUPAKSA-N. The full InChI is InChI=1S/C12H18S/c1-8-6-11(7-9(8)2)12-5-4-10(3)13-12/h4-5,8-9,11H,6-7H2,1-3H3/t8-,9+,11?.
What are the key properties of 2-[(3R,4S)-3,4-dimethylcyclopentyl]-5-methylthiophene?
2-[(3R,4S)-3,4-dimethylcyclopentyl]-5-methylthiophene has a molecular weight of 194.34 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3,4-dimethylcyclopentyl]-5-methylthiophene is sourced from PubChem (CID 118423631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).