(1-ethylcyclopentyl) acetate

C9H16O2 — CID 11159452

IUPAC(1-ethylcyclopentyl) acetate
SMILESCCC1(OC(C)=O)CCCC1
InChIInChI=1S/C9H16O2/c1-3-9(11-8(2)10)6-4-5-7-9/h3-7H2,1-2H3
InChIKeyNRTGZESAIDNRFP-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.27
Rot. Bonds2

About (1-ethylcyclopentyl) acetate

(1-ethylcyclopentyl) acetate (PubChem CID 11159452) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (1-ethylcyclopentyl) acetate.

Molecular Properties

Compound Name(1-ethylcyclopentyl) acetate
PubChem CID11159452
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(1-ethylcyclopentyl) acetate
SMILESCCC1(OC(C)=O)CCCC1
InChIInChI=1S/C9H16O2/c1-3-9(11-8(2)10)6-4-5-7-9/h3-7H2,1-2H3
InChIKeyNRTGZESAIDNRFP-UHFFFAOYSA-N
XLogP2.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl) acetate?
The IUPAC name of (1-ethylcyclopentyl) acetate (CID 11159452) is (1-ethylcyclopentyl) acetate.
What is the SMILES notation for (1-ethylcyclopentyl) acetate?
The canonical SMILES for (1-ethylcyclopentyl) acetate is CCC1(OC(C)=O)CCCC1.
What is the InChIKey of (1-ethylcyclopentyl) acetate?
The InChIKey is NRTGZESAIDNRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-9(11-8(2)10)6-4-5-7-9/h3-7H2,1-2H3.
What are the key properties of (1-ethylcyclopentyl) acetate?
(1-ethylcyclopentyl) acetate has a molecular weight of 156.22 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl) acetate is sourced from PubChem (CID 11159452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).