ethyl 2-(1-hydroxycyclopent-2-en-1-yl)acetate

C9H14O3 — CID 11665475

IUPACethyl 2-(1-hydroxycyclopent-2-en-1-yl)acetate
SMILESCCOC(=O)CC1(O)C=CCC1
InChIInChI=1S/C9H14O3/c1-2-12-8(10)7-9(11)5-3-4-6-9/h3,5,11H,2,4,6-7H2,1H3
InChIKeyKPUJESAZRWJUTA-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.02
Rot. Bonds3

About ethyl 2-(1-hydroxycyclopent-2-en-1-yl)acetate

ethyl 2-(1-hydroxycyclopent-2-en-1-yl)acetate (PubChem CID 11665475) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is ethyl 2-(1-hydroxycyclopent-2-en-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-hydroxycyclopent-2-en-1-yl)acetate
PubChem CID11665475
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Nameethyl 2-(1-hydroxycyclopent-2-en-1-yl)acetate
SMILESCCOC(=O)CC1(O)C=CCC1
InChIInChI=1S/C9H14O3/c1-2-12-8(10)7-9(11)5-3-4-6-9/h3,5,11H,2,4,6-7H2,1H3
InChIKeyKPUJESAZRWJUTA-UHFFFAOYSA-N
XLogP1.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 163036943
CID 163036943
CID 46908201
CID 46908201
CID 146684243
CID 146684243
CID 146684244
CID 146684244
CID 13113182
CID 13113182
CID 11424933
CID 11424933
CID 85636826
CID 85636826
CID 20744966
CID 20744966
CID 6452505
CID 6452505
CID 566443
CID 566443
CID 154497316
CID 154497316
CID 101992147
CID 101992147

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-hydroxycyclopent-2-en-1-yl)acetate?
The IUPAC name of ethyl 2-(1-hydroxycyclopent-2-en-1-yl)acetate (CID 11665475) is ethyl 2-(1-hydroxycyclopent-2-en-1-yl)acetate.
What is the SMILES notation for ethyl 2-(1-hydroxycyclopent-2-en-1-yl)acetate?
The canonical SMILES for ethyl 2-(1-hydroxycyclopent-2-en-1-yl)acetate is CCOC(=O)CC1(O)C=CCC1.
What is the InChIKey of ethyl 2-(1-hydroxycyclopent-2-en-1-yl)acetate?
The InChIKey is KPUJESAZRWJUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-2-12-8(10)7-9(11)5-3-4-6-9/h3,5,11H,2,4,6-7H2,1H3.
What are the key properties of ethyl 2-(1-hydroxycyclopent-2-en-1-yl)acetate?
ethyl 2-(1-hydroxycyclopent-2-en-1-yl)acetate has a molecular weight of 170.21 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-hydroxycyclopent-2-en-1-yl)acetate is sourced from PubChem (CID 11665475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).