prop-2-enyl 2-pentoxyacetate

C10H18O3 — CID 526760

IUPACprop-2-enyl 2-pentoxyacetate
SMILESC=CCOC(=O)COCCCCC
InChIInChI=1S/C10H18O3/c1-3-5-6-8-12-9-10(11)13-7-4-2/h4H,2-3,5-9H2,1H3
InChIKeyRRIFFBJNXMRMKT-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.92
Rot. Bonds8

About prop-2-enyl 2-pentoxyacetate

prop-2-enyl 2-pentoxyacetate (PubChem CID 526760) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is prop-2-enyl 2-pentoxyacetate.

Molecular Properties

Compound Nameprop-2-enyl 2-pentoxyacetate
PubChem CID526760
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Nameprop-2-enyl 2-pentoxyacetate
SMILESC=CCOC(=O)COCCCCC
InChIInChI=1S/C10H18O3/c1-3-5-6-8-12-9-10(11)13-7-4-2/h4H,2-3,5-9H2,1H3
InChIKeyRRIFFBJNXMRMKT-UHFFFAOYSA-N
XLogP1.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-pentoxyacetate?
The IUPAC name of prop-2-enyl 2-pentoxyacetate (CID 526760) is prop-2-enyl 2-pentoxyacetate.
What is the SMILES notation for prop-2-enyl 2-pentoxyacetate?
The canonical SMILES for prop-2-enyl 2-pentoxyacetate is C=CCOC(=O)COCCCCC.
What is the InChIKey of prop-2-enyl 2-pentoxyacetate?
The InChIKey is RRIFFBJNXMRMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-5-6-8-12-9-10(11)13-7-4-2/h4H,2-3,5-9H2,1H3.
What are the key properties of prop-2-enyl 2-pentoxyacetate?
prop-2-enyl 2-pentoxyacetate has a molecular weight of 186.25 g/mol, XLogP of 1.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-pentoxyacetate is sourced from PubChem (CID 526760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).