ethyl 2-(1-hydroxycyclopentyl)acetate

C9H16O3 — CID 11805214

IUPACethyl 2-(1-hydroxycyclopentyl)acetate
SMILESCCOC(=O)CC1(O)CCCC1
InChIInChI=1S/C9H16O3/c1-2-12-8(10)7-9(11)5-3-4-6-9/h11H,2-7H2,1H3
InChIKeyFFQXMPGGIREDHJ-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.24
Rot. Bonds3

About ethyl 2-(1-hydroxycyclopentyl)acetate

ethyl 2-(1-hydroxycyclopentyl)acetate (PubChem CID 11805214) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is ethyl 2-(1-hydroxycyclopentyl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-hydroxycyclopentyl)acetate
PubChem CID11805214
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Nameethyl 2-(1-hydroxycyclopentyl)acetate
SMILESCCOC(=O)CC1(O)CCCC1
InChIInChI=1S/C9H16O3/c1-2-12-8(10)7-9(11)5-3-4-6-9/h11H,2-7H2,1H3
InChIKeyFFQXMPGGIREDHJ-UHFFFAOYSA-N
XLogP1.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-hydroxycyclopentyl)acetate?
The IUPAC name of ethyl 2-(1-hydroxycyclopentyl)acetate (CID 11805214) is ethyl 2-(1-hydroxycyclopentyl)acetate.
What is the SMILES notation for ethyl 2-(1-hydroxycyclopentyl)acetate?
The canonical SMILES for ethyl 2-(1-hydroxycyclopentyl)acetate is CCOC(=O)CC1(O)CCCC1.
What is the InChIKey of ethyl 2-(1-hydroxycyclopentyl)acetate?
The InChIKey is FFQXMPGGIREDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-2-12-8(10)7-9(11)5-3-4-6-9/h11H,2-7H2,1H3.
What are the key properties of ethyl 2-(1-hydroxycyclopentyl)acetate?
ethyl 2-(1-hydroxycyclopentyl)acetate has a molecular weight of 172.22 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-hydroxycyclopentyl)acetate is sourced from PubChem (CID 11805214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).