trans-(1R,3R)-1,3-diethylcyclopentane

C9H18 — CID 6537508

IUPACtrans-(1R,3R)-1,3-diethylcyclopentane
SMILESCC[C@@H]1CC[C@@H](CC)C1
InChIInChI=1S/C9H18/c1-3-8-5-6-9(4-2)7-8/h8-9H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyRUUVWUNHERVOAY-RKDXNWHRSA-N
MW126.24 g/mol
LogP3.22
Rot. Bonds2

About trans-(1R,3R)-1,3-diethylcyclopentane

trans-(1R,3R)-1,3-diethylcyclopentane (PubChem CID 6537508) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is trans-(1R,3R)-1,3-diethylcyclopentane.

Molecular Properties

Compound Nametrans-(1R,3R)-1,3-diethylcyclopentane
PubChem CID6537508
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Nametrans-(1R,3R)-1,3-diethylcyclopentane
SMILESCC[C@@H]1CC[C@@H](CC)C1
InChIInChI=1S/C9H18/c1-3-8-5-6-9(4-2)7-8/h8-9H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyRUUVWUNHERVOAY-RKDXNWHRSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-1,3-diethylcyclopentane?
The IUPAC name of trans-(1R,3R)-1,3-diethylcyclopentane (CID 6537508) is trans-(1R,3R)-1,3-diethylcyclopentane.
What is the SMILES notation for trans-(1R,3R)-1,3-diethylcyclopentane?
The canonical SMILES for trans-(1R,3R)-1,3-diethylcyclopentane is CC[C@@H]1CC[C@@H](CC)C1.
What is the InChIKey of trans-(1R,3R)-1,3-diethylcyclopentane?
The InChIKey is RUUVWUNHERVOAY-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H18/c1-3-8-5-6-9(4-2)7-8/h8-9H,3-7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of trans-(1R,3R)-1,3-diethylcyclopentane?
trans-(1R,3R)-1,3-diethylcyclopentane has a molecular weight of 126.24 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-1,3-diethylcyclopentane is sourced from PubChem (CID 6537508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).