ethyl 2-(2-hydroxycyclopentyl)acetate

C9H16O3 — CID 71327527

IUPACethyl 2-(2-hydroxycyclopentyl)acetate
SMILESCCOC(=O)CC1CCCC1O
InChIInChI=1S/C9H16O3/c1-2-12-9(11)6-7-4-3-5-8(7)10/h7-8,10H,2-6H2,1H3
InChIKeyRJVCHOYWDDFSTC-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.10
Rot. Bonds3

About ethyl 2-(2-hydroxycyclopentyl)acetate

ethyl 2-(2-hydroxycyclopentyl)acetate (PubChem CID 71327527) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is ethyl 2-(2-hydroxycyclopentyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-hydroxycyclopentyl)acetate
PubChem CID71327527
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Nameethyl 2-(2-hydroxycyclopentyl)acetate
SMILESCCOC(=O)CC1CCCC1O
InChIInChI=1S/C9H16O3/c1-2-12-9(11)6-7-4-3-5-8(7)10/h7-8,10H,2-6H2,1H3
InChIKeyRJVCHOYWDDFSTC-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-hydroxycyclopentyl)acetate?
The IUPAC name of ethyl 2-(2-hydroxycyclopentyl)acetate (CID 71327527) is ethyl 2-(2-hydroxycyclopentyl)acetate.
What is the SMILES notation for ethyl 2-(2-hydroxycyclopentyl)acetate?
The canonical SMILES for ethyl 2-(2-hydroxycyclopentyl)acetate is CCOC(=O)CC1CCCC1O.
What is the InChIKey of ethyl 2-(2-hydroxycyclopentyl)acetate?
The InChIKey is RJVCHOYWDDFSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-2-12-9(11)6-7-4-3-5-8(7)10/h7-8,10H,2-6H2,1H3.
What are the key properties of ethyl 2-(2-hydroxycyclopentyl)acetate?
ethyl 2-(2-hydroxycyclopentyl)acetate has a molecular weight of 172.22 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-hydroxycyclopentyl)acetate is sourced from PubChem (CID 71327527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).