methyl 2-(cyclopenten-1-yl)-2-hydroxyacetate

C8H12O3 — CID 14695605

IUPACmethyl 2-(cyclopenten-1-yl)-2-hydroxyacetate
SMILESCOC(=O)C(O)C1=CCCC1
InChIInChI=1S/C8H12O3/c1-11-8(10)7(9)6-4-2-3-5-6/h4,7,9H,2-3,5H2,1H3
InChIKeyLYNWTSVFQIMZAY-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.63
Rot. Bonds2

About methyl 2-(cyclopenten-1-yl)-2-hydroxyacetate

methyl 2-(cyclopenten-1-yl)-2-hydroxyacetate (PubChem CID 14695605) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is methyl 2-(cyclopenten-1-yl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(cyclopenten-1-yl)-2-hydroxyacetate
PubChem CID14695605
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Namemethyl 2-(cyclopenten-1-yl)-2-hydroxyacetate
SMILESCOC(=O)C(O)C1=CCCC1
InChIInChI=1S/C8H12O3/c1-11-8(10)7(9)6-4-2-3-5-6/h4,7,9H,2-3,5H2,1H3
InChIKeyLYNWTSVFQIMZAY-UHFFFAOYSA-N
XLogP0.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopenten-1-yl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(cyclopenten-1-yl)-2-hydroxyacetate (CID 14695605) is methyl 2-(cyclopenten-1-yl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(cyclopenten-1-yl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(cyclopenten-1-yl)-2-hydroxyacetate is COC(=O)C(O)C1=CCCC1.
What is the InChIKey of methyl 2-(cyclopenten-1-yl)-2-hydroxyacetate?
The InChIKey is LYNWTSVFQIMZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-11-8(10)7(9)6-4-2-3-5-6/h4,7,9H,2-3,5H2,1H3.
What are the key properties of methyl 2-(cyclopenten-1-yl)-2-hydroxyacetate?
methyl 2-(cyclopenten-1-yl)-2-hydroxyacetate has a molecular weight of 156.18 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopenten-1-yl)-2-hydroxyacetate is sourced from PubChem (CID 14695605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).