cis-ethyl (1R,2R)-2-ethylcyclopentane-1-carboxylate

C10H18O2 — CID 101471525

IUPACcis-ethyl (1R,2R)-2-ethylcyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CCC[C@H]1CC
InChIInChI=1S/C10H18O2/c1-3-8-6-5-7-9(8)10(11)12-4-2/h8-9H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyWUDQFKYAOWBSAU-RKDXNWHRSA-N
MW170.25 g/mol
LogP2.38
Rot. Bonds3

About cis-ethyl (1R,2R)-2-ethylcyclopentane-1-carboxylate

cis-ethyl (1R,2R)-2-ethylcyclopentane-1-carboxylate (PubChem CID 101471525) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is cis-ethyl (1R,2R)-2-ethylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,2R)-2-ethylcyclopentane-1-carboxylate
PubChem CID101471525
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Namecis-ethyl (1R,2R)-2-ethylcyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CCC[C@H]1CC
InChIInChI=1S/C10H18O2/c1-3-8-6-5-7-9(8)10(11)12-4-2/h8-9H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyWUDQFKYAOWBSAU-RKDXNWHRSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl cyclohexanoate
CID 18686
3-Methylbutyl octanoate
CID 16255
Isoamyl decanoate
CID 75320
Bis(2-ethylhexyl) azelate
CID 7642
Ethyl cyclohexane propionate
CID 61466
Ethyl cyclohexylacetate
CID 21595
2-Methylbutyl octanoate
CID 530406
2-Methylbutyl decanoate
CID 3017826
Di-2-ethylhexyl sebacate
CID 31218
alpha-Hexyl-gamma-butyrolactone
CID 86736
Cetearyl Ethylhexanoate
CID 42956
2-Ethylhexyl stearate
CID 13132266

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,2R)-2-ethylcyclopentane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,2R)-2-ethylcyclopentane-1-carboxylate (CID 101471525) is cis-ethyl (1R,2R)-2-ethylcyclopentane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,2R)-2-ethylcyclopentane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,2R)-2-ethylcyclopentane-1-carboxylate is CCOC(=O)[C@@H]1CCC[C@H]1CC.
What is the InChIKey of cis-ethyl (1R,2R)-2-ethylcyclopentane-1-carboxylate?
The InChIKey is WUDQFKYAOWBSAU-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-8-6-5-7-9(8)10(11)12-4-2/h8-9H,3-7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of cis-ethyl (1R,2R)-2-ethylcyclopentane-1-carboxylate?
cis-ethyl (1R,2R)-2-ethylcyclopentane-1-carboxylate has a molecular weight of 170.25 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,2R)-2-ethylcyclopentane-1-carboxylate is sourced from PubChem (CID 101471525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).