acetyloxymethyl 3-hydroxycyclopentene-1-carboxylate

C9H12O5 — CID 150766404

IUPACacetyloxymethyl 3-hydroxycyclopentene-1-carboxylate
SMILESCC(=O)OCOC(=O)C1=CC(O)CC1
InChIInChI=1S/C9H12O5/c1-6(10)13-5-14-9(12)7-2-3-8(11)4-7/h4,8,11H,2-3,5H2,1H3
InChIKeyJYXOFSKJCYAJGZ-UHFFFAOYSA-N
MW200.19 g/mol
LogP0.13
Rot. Bonds3

About acetyloxymethyl 3-hydroxycyclopentene-1-carboxylate

acetyloxymethyl 3-hydroxycyclopentene-1-carboxylate (PubChem CID 150766404) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is acetyloxymethyl 3-hydroxycyclopentene-1-carboxylate.

Molecular Properties

Compound Nameacetyloxymethyl 3-hydroxycyclopentene-1-carboxylate
PubChem CID150766404
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Nameacetyloxymethyl 3-hydroxycyclopentene-1-carboxylate
SMILESCC(=O)OCOC(=O)C1=CC(O)CC1
InChIInChI=1S/C9H12O5/c1-6(10)13-5-14-9(12)7-2-3-8(11)4-7/h4,8,11H,2-3,5H2,1H3
InChIKeyJYXOFSKJCYAJGZ-UHFFFAOYSA-N
XLogP0.13
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetyloxymethyl 3-hydroxycyclopentene-1-carboxylate?
The IUPAC name of acetyloxymethyl 3-hydroxycyclopentene-1-carboxylate (CID 150766404) is acetyloxymethyl 3-hydroxycyclopentene-1-carboxylate.
What is the SMILES notation for acetyloxymethyl 3-hydroxycyclopentene-1-carboxylate?
The canonical SMILES for acetyloxymethyl 3-hydroxycyclopentene-1-carboxylate is CC(=O)OCOC(=O)C1=CC(O)CC1.
What is the InChIKey of acetyloxymethyl 3-hydroxycyclopentene-1-carboxylate?
The InChIKey is JYXOFSKJCYAJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O5/c1-6(10)13-5-14-9(12)7-2-3-8(11)4-7/h4,8,11H,2-3,5H2,1H3.
What are the key properties of acetyloxymethyl 3-hydroxycyclopentene-1-carboxylate?
acetyloxymethyl 3-hydroxycyclopentene-1-carboxylate has a molecular weight of 200.19 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxymethyl 3-hydroxycyclopentene-1-carboxylate is sourced from PubChem (CID 150766404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).