2-propoxyethyl 2-ethoxybenzenecarboperoxoate

C14H20O5 — CID 173266414

IUPAC2-propoxyethyl 2-ethoxybenzenecarboperoxoate
SMILESCCCOCCOOC(=O)c1ccccc1OCC
InChIInChI=1S/C14H20O5/c1-3-9-16-10-11-18-19-14(15)12-7-5-6-8-13(12)17-4-2/h5-8H,3-4,9-11H2,1-2H3
InChIKeyDRIHOKFDERSMHB-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.60
Rot. Bonds9

About 2-propoxyethyl 2-ethoxybenzenecarboperoxoate

2-propoxyethyl 2-ethoxybenzenecarboperoxoate (PubChem CID 173266414) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-propoxyethyl 2-ethoxybenzenecarboperoxoate.

Molecular Properties

Compound Name2-propoxyethyl 2-ethoxybenzenecarboperoxoate
PubChem CID173266414
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name2-propoxyethyl 2-ethoxybenzenecarboperoxoate
SMILESCCCOCCOOC(=O)c1ccccc1OCC
InChIInChI=1S/C14H20O5/c1-3-9-16-10-11-18-19-14(15)12-7-5-6-8-13(12)17-4-2/h5-8H,3-4,9-11H2,1-2H3
InChIKeyDRIHOKFDERSMHB-UHFFFAOYSA-N
XLogP2.60
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-ethoxybenzenecarboperoxoic acid
CID 22314606
ethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 10448213
methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate
CID 15209322
cyclododecyl 2-ethoxybenzenecarboperoxoate
CID 173265751
methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate
CID 102383086
propyl naphthalene-1-carboperoxoate
CID 154240919
carbonic acid;propyl 2-propoxybenzoate
CID 69345278
2-ethoxybenzoic acid;zinc
CID 172723273
2-ethoxybenzoyl bromide
CID 19426336
[(2R)-1-amino-1-oxopropan-2-yl] 2-ethoxybenzoate
CID 8606844
2-(2-propoxyethoxy)benzenecarboximidamide
CID 63684381
pentan-3-yl 2-(2-ethoxyphenyl)benzoate
CID 118040088

Frequently Asked Questions

What is the IUPAC name of 2-propoxyethyl 2-ethoxybenzenecarboperoxoate?
The IUPAC name of 2-propoxyethyl 2-ethoxybenzenecarboperoxoate (CID 173266414) is 2-propoxyethyl 2-ethoxybenzenecarboperoxoate.
What is the SMILES notation for 2-propoxyethyl 2-ethoxybenzenecarboperoxoate?
The canonical SMILES for 2-propoxyethyl 2-ethoxybenzenecarboperoxoate is CCCOCCOOC(=O)c1ccccc1OCC.
What is the InChIKey of 2-propoxyethyl 2-ethoxybenzenecarboperoxoate?
The InChIKey is DRIHOKFDERSMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c1-3-9-16-10-11-18-19-14(15)12-7-5-6-8-13(12)17-4-2/h5-8H,3-4,9-11H2,1-2H3.
What are the key properties of 2-propoxyethyl 2-ethoxybenzenecarboperoxoate?
2-propoxyethyl 2-ethoxybenzenecarboperoxoate has a molecular weight of 268.31 g/mol, XLogP of 2.60, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxyethyl 2-ethoxybenzenecarboperoxoate is sourced from PubChem (CID 173266414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).