trans-(1S,3S)-1-ethyl-3-methylcyclopentane;trans-(1R,3R)-1-ethyl-3-methylcyclopentane

C16H32 — CID 155887691

IUPACtrans-(1S,3S)-1-ethyl-3-methylcyclopentane;trans-(1R,3R)-1-ethyl-3-methylcyclopentane
SMILESCC[C@@H]1CC[C@@H](C)C1.CC[C@H]1CC[C@H](C)C1
InChIInChI=1S/2C8H16/c2*1-3-8-5-4-7(2)6-8/h2*7-8H,3-6H2,1-2H3/t2*7-,8-/m10/s1
InChIKeyUNWJKKQEYSVQEW-SRPOWUSQSA-N
MW224.43 g/mol
LogP5.67
Rot. Bonds2

About trans-(1S,3S)-1-ethyl-3-methylcyclopentane;trans-(1R,3R)-1-ethyl-3-methylcyclopentane

trans-(1S,3S)-1-ethyl-3-methylcyclopentane;trans-(1R,3R)-1-ethyl-3-methylcyclopentane (PubChem CID 155887691) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is trans-(1S,3S)-1-ethyl-3-methylcyclopentane;trans-(1R,3R)-1-ethyl-3-methylcyclopentane.

Molecular Properties

Compound Nametrans-(1S,3S)-1-ethyl-3-methylcyclopentane;trans-(1R,3R)-1-ethyl-3-methylcyclopentane
PubChem CID155887691
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Nametrans-(1S,3S)-1-ethyl-3-methylcyclopentane;trans-(1R,3R)-1-ethyl-3-methylcyclopentane
SMILESCC[C@@H]1CC[C@@H](C)C1.CC[C@H]1CC[C@H](C)C1
InChIInChI=1S/2C8H16/c2*1-3-8-5-4-7(2)6-8/h2*7-8H,3-6H2,1-2H3/t2*7-,8-/m10/s1
InChIKeyUNWJKKQEYSVQEW-SRPOWUSQSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze trans-(1S,3S)-1-ethyl-3-methylcyclopentane;trans-(1R,3R)-1-ethyl-3-methylcyclopentane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-1-ethyl-3-methylcyclopentane;trans-(1R,3R)-1-ethyl-3-methylcyclopentane?
The IUPAC name of trans-(1S,3S)-1-ethyl-3-methylcyclopentane;trans-(1R,3R)-1-ethyl-3-methylcyclopentane (CID 155887691) is trans-(1S,3S)-1-ethyl-3-methylcyclopentane;trans-(1R,3R)-1-ethyl-3-methylcyclopentane.
What is the SMILES notation for trans-(1S,3S)-1-ethyl-3-methylcyclopentane;trans-(1R,3R)-1-ethyl-3-methylcyclopentane?
The canonical SMILES for trans-(1S,3S)-1-ethyl-3-methylcyclopentane;trans-(1R,3R)-1-ethyl-3-methylcyclopentane is CC[C@@H]1CC[C@@H](C)C1.CC[C@H]1CC[C@H](C)C1.
What is the InChIKey of trans-(1S,3S)-1-ethyl-3-methylcyclopentane;trans-(1R,3R)-1-ethyl-3-methylcyclopentane?
The InChIKey is UNWJKKQEYSVQEW-SRPOWUSQSA-N. The full InChI is InChI=1S/2C8H16/c2*1-3-8-5-4-7(2)6-8/h2*7-8H,3-6H2,1-2H3/t2*7-,8-/m10/s1.
What are the key properties of trans-(1S,3S)-1-ethyl-3-methylcyclopentane;trans-(1R,3R)-1-ethyl-3-methylcyclopentane?
trans-(1S,3S)-1-ethyl-3-methylcyclopentane;trans-(1R,3R)-1-ethyl-3-methylcyclopentane has a molecular weight of 224.43 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-1-ethyl-3-methylcyclopentane;trans-(1R,3R)-1-ethyl-3-methylcyclopentane is sourced from PubChem (CID 155887691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).