(2S)-4-ethyl-1,2-dimethylcyclopentane

C9H18 — CID 149056409

IUPAC(2S)-4-ethyl-1,2-dimethylcyclopentane
SMILESCCC1CC(C)[C@@H](C)C1
InChIInChI=1S/C9H18/c1-4-9-5-7(2)8(3)6-9/h7-9H,4-6H2,1-3H3/t7-,8?,9?/m0/s1
InChIKeyQKXQNQVXTYSGKS-UEJVZZJDSA-N
MW126.24 g/mol
LogP3.08
Rot. Bonds1

About (2S)-4-ethyl-1,2-dimethylcyclopentane

(2S)-4-ethyl-1,2-dimethylcyclopentane (PubChem CID 149056409) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is (2S)-4-ethyl-1,2-dimethylcyclopentane.

Molecular Properties

Compound Name(2S)-4-ethyl-1,2-dimethylcyclopentane
PubChem CID149056409
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name(2S)-4-ethyl-1,2-dimethylcyclopentane
SMILESCCC1CC(C)[C@@H](C)C1
InChIInChI=1S/C9H18/c1-4-9-5-7(2)8(3)6-9/h7-9H,4-6H2,1-3H3/t7-,8?,9?/m0/s1
InChIKeyQKXQNQVXTYSGKS-UEJVZZJDSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-ethyl-1,2-dimethylcyclopentane?
The IUPAC name of (2S)-4-ethyl-1,2-dimethylcyclopentane (CID 149056409) is (2S)-4-ethyl-1,2-dimethylcyclopentane.
What is the SMILES notation for (2S)-4-ethyl-1,2-dimethylcyclopentane?
The canonical SMILES for (2S)-4-ethyl-1,2-dimethylcyclopentane is CCC1CC(C)[C@@H](C)C1.
What is the InChIKey of (2S)-4-ethyl-1,2-dimethylcyclopentane?
The InChIKey is QKXQNQVXTYSGKS-UEJVZZJDSA-N. The full InChI is InChI=1S/C9H18/c1-4-9-5-7(2)8(3)6-9/h7-9H,4-6H2,1-3H3/t7-,8?,9?/m0/s1.
What are the key properties of (2S)-4-ethyl-1,2-dimethylcyclopentane?
(2S)-4-ethyl-1,2-dimethylcyclopentane has a molecular weight of 126.24 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-ethyl-1,2-dimethylcyclopentane is sourced from PubChem (CID 149056409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).