cyclopentyl 2-[(2-acetyloxyacetyl)oxymethyl]prop-2-enoate

C13H18O6 — CID 23572128

IUPACcyclopentyl 2-[(2-acetyloxyacetyl)oxymethyl]prop-2-enoate
SMILESC=C(COC(=O)COC(C)=O)C(=O)OC1CCCC1
InChIInChI=1S/C13H18O6/c1-9(7-18-12(15)8-17-10(2)14)13(16)19-11-5-3-4-6-11/h11H,1,3-8H2,2H3
InChIKeyOFILITSNMZKGES-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.13
Rot. Bonds6

About cyclopentyl 2-[(2-acetyloxyacetyl)oxymethyl]prop-2-enoate

cyclopentyl 2-[(2-acetyloxyacetyl)oxymethyl]prop-2-enoate (PubChem CID 23572128) has the molecular formula C13H18O6 and a molecular weight of 270.28 g/mol. Its IUPAC name is cyclopentyl 2-[(2-acetyloxyacetyl)oxymethyl]prop-2-enoate.

Molecular Properties

Compound Namecyclopentyl 2-[(2-acetyloxyacetyl)oxymethyl]prop-2-enoate
PubChem CID23572128
Molecular FormulaC13H18O6
Molecular Weight270.28 g/mol
Exact Mass270.11
IUPAC Namecyclopentyl 2-[(2-acetyloxyacetyl)oxymethyl]prop-2-enoate
SMILESC=C(COC(=O)COC(C)=O)C(=O)OC1CCCC1
InChIInChI=1S/C13H18O6/c1-9(7-18-12(15)8-17-10(2)14)13(16)19-11-5-3-4-6-11/h11H,1,3-8H2,2H3
InChIKeyOFILITSNMZKGES-UHFFFAOYSA-N
XLogP1.13
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-[(2-acetyloxyacetyl)oxymethyl]prop-2-enoate?
The IUPAC name of cyclopentyl 2-[(2-acetyloxyacetyl)oxymethyl]prop-2-enoate (CID 23572128) is cyclopentyl 2-[(2-acetyloxyacetyl)oxymethyl]prop-2-enoate.
What is the SMILES notation for cyclopentyl 2-[(2-acetyloxyacetyl)oxymethyl]prop-2-enoate?
The canonical SMILES for cyclopentyl 2-[(2-acetyloxyacetyl)oxymethyl]prop-2-enoate is C=C(COC(=O)COC(C)=O)C(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl 2-[(2-acetyloxyacetyl)oxymethyl]prop-2-enoate?
The InChIKey is OFILITSNMZKGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O6/c1-9(7-18-12(15)8-17-10(2)14)13(16)19-11-5-3-4-6-11/h11H,1,3-8H2,2H3.
What are the key properties of cyclopentyl 2-[(2-acetyloxyacetyl)oxymethyl]prop-2-enoate?
cyclopentyl 2-[(2-acetyloxyacetyl)oxymethyl]prop-2-enoate has a molecular weight of 270.28 g/mol, XLogP of 1.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2-[(2-acetyloxyacetyl)oxymethyl]prop-2-enoate is sourced from PubChem (CID 23572128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).