trans-(1R,2R)-1,2-diethylcyclopentane

C9H18 — CID 6432778

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

About trans-(1R,2R)-1,2-diethylcyclopentane

trans-(1R,2R)-1,2-diethylcyclopentane (PubChem CID 6432778) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is trans-(1R,2R)-1,2-diethylcyclopentane.

Molecular Properties

Compound Nametrans-(1R,2R)-1,2-diethylcyclopentane
PubChem CID6432778
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Nametrans-(1R,2R)-1,2-diethylcyclopentane
SMILESCC[C@@H]1CCC[C@H]1CC
InChIInChI=1S/C9H18/c1-3-8-6-5-7-9(8)4-2/h8-9H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyJKMYLSLBFNMSFP-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,2R)-1,2-diethylcyclopentane?
The IUPAC name of trans-(1R,2R)-1,2-diethylcyclopentane (CID 6432778) is trans-(1R,2R)-1,2-diethylcyclopentane.
What is the SMILES notation for trans-(1R,2R)-1,2-diethylcyclopentane?
The canonical SMILES for trans-(1R,2R)-1,2-diethylcyclopentane is CC[C@@H]1CCC[C@H]1CC.
What is the InChIKey of trans-(1R,2R)-1,2-diethylcyclopentane?
The InChIKey is JKMYLSLBFNMSFP-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H18/c1-3-8-6-5-7-9(8)4-2/h8-9H,3-7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-1,2-diethylcyclopentane?
trans-(1R,2R)-1,2-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,2R)-1,2-diethylcyclopentane is sourced from PubChem (CID 6432778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).