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

C9H18 — CID 6427926

IUPAC(1S,2S,4R)-1-ethyl-2,4-dimethylcyclopentane
SMILESCC[C@H]1C[C@H](C)C[C@@H]1C
InChIInChI=1S/C9H18/c1-4-9-6-7(2)5-8(9)3/h7-9H,4-6H2,1-3H3/t7-,8+,9+/m1/s1
InChIKeyVMCXXGFUCWAIIN-VGMNWLOBSA-N
MW126.24 g/mol
LogP3.08
Rot. Bonds1

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

(1S,2S,4R)-1-ethyl-2,4-dimethylcyclopentane (PubChem CID 6427926) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is (1S,2S,4R)-1-ethyl-2,4-dimethylcyclopentane.

Molecular Properties

Compound Name(1S,2S,4R)-1-ethyl-2,4-dimethylcyclopentane
PubChem CID6427926
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name(1S,2S,4R)-1-ethyl-2,4-dimethylcyclopentane
SMILESCC[C@H]1C[C@H](C)C[C@@H]1C
InChIInChI=1S/C9H18/c1-4-9-6-7(2)5-8(9)3/h7-9H,4-6H2,1-3H3/t7-,8+,9+/m1/s1
InChIKeyVMCXXGFUCWAIIN-VGMNWLOBSA-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 (1S,2S,4R)-1-ethyl-2,4-dimethylcyclopentane?
The IUPAC name of (1S,2S,4R)-1-ethyl-2,4-dimethylcyclopentane (CID 6427926) is (1S,2S,4R)-1-ethyl-2,4-dimethylcyclopentane.
What is the SMILES notation for (1S,2S,4R)-1-ethyl-2,4-dimethylcyclopentane?
The canonical SMILES for (1S,2S,4R)-1-ethyl-2,4-dimethylcyclopentane is CC[C@H]1C[C@H](C)C[C@@H]1C.
What is the InChIKey of (1S,2S,4R)-1-ethyl-2,4-dimethylcyclopentane?
The InChIKey is VMCXXGFUCWAIIN-VGMNWLOBSA-N. The full InChI is InChI=1S/C9H18/c1-4-9-6-7(2)5-8(9)3/h7-9H,4-6H2,1-3H3/t7-,8+,9+/m1/s1.
What are the key properties of (1S,2S,4R)-1-ethyl-2,4-dimethylcyclopentane?
(1S,2S,4R)-1-ethyl-2,4-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 (1S,2S,4R)-1-ethyl-2,4-dimethylcyclopentane is sourced from PubChem (CID 6427926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).