[1-(2-ethoxyethoxy)-1-phenylethyl] ethyl carbonate

C15H22O5 — CID 118088572

IUPAC[1-(2-ethoxyethoxy)-1-phenylethyl] ethyl carbonate
SMILESCCOCCOC(C)(OC(=O)OCC)c1ccccc1
InChIInChI=1S/C15H22O5/c1-4-17-11-12-19-15(3,20-14(16)18-5-2)13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3
InChIKeyOODWYXYAIHBIEQ-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.09
Rot. Bonds8

About [1-(2-ethoxyethoxy)-1-phenylethyl] ethyl carbonate

[1-(2-ethoxyethoxy)-1-phenylethyl] ethyl carbonate (PubChem CID 118088572) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is [1-(2-ethoxyethoxy)-1-phenylethyl] ethyl carbonate.

Molecular Properties

Compound Name[1-(2-ethoxyethoxy)-1-phenylethyl] ethyl carbonate
PubChem CID118088572
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name[1-(2-ethoxyethoxy)-1-phenylethyl] ethyl carbonate
SMILESCCOCCOC(C)(OC(=O)OCC)c1ccccc1
InChIInChI=1S/C15H22O5/c1-4-17-11-12-19-15(3,20-14(16)18-5-2)13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3
InChIKeyOODWYXYAIHBIEQ-UHFFFAOYSA-N
XLogP3.09
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1-ethoxycarbonyloxy-2-phenylpropan-2-yl) ethyl carbonate
CID 102005654
[3-(2-ethoxyethoxy)-2-methyl-3-phenylbutan-2-yl] hydrogen carbonate
CID 90300637
2-ethoxyethyl 2-amino-2-phenylpropanoate
CID 62488733
(1-cyano-2,2,2-trifluoro-1-phenylethyl) ethyl carbonate
CID 121000603
4-(2-ethoxyethoxy)-2-(methylamino)-2-phenylbutanamide
CID 116694151
2-[1-(2-hydroxyethoxy)-1-phenylethoxy]ethanol
CID 139725286
ethyl (2S)-2-amino-2-phenylpropanoate
CID 86615568
diethyl 2-iodo-2-phenylpropanedioate
CID 168868817
2-(2-ethoxyethoxy)ethyl phenyl carbonate
CID 118088520
2-(aminomethyl)-4-ethoxy-2-phenylbutanoic acid
CID 106489363
ethyl 5-ethoxycarbonyloxy-5,5-diphenylpent-2-ynoate
CID 15533454
3-ethoxy-2-methyl-2-phenylpropanoic acid
CID 174890846

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethoxyethoxy)-1-phenylethyl] ethyl carbonate?
The IUPAC name of [1-(2-ethoxyethoxy)-1-phenylethyl] ethyl carbonate (CID 118088572) is [1-(2-ethoxyethoxy)-1-phenylethyl] ethyl carbonate.
What is the SMILES notation for [1-(2-ethoxyethoxy)-1-phenylethyl] ethyl carbonate?
The canonical SMILES for [1-(2-ethoxyethoxy)-1-phenylethyl] ethyl carbonate is CCOCCOC(C)(OC(=O)OCC)c1ccccc1.
What is the InChIKey of [1-(2-ethoxyethoxy)-1-phenylethyl] ethyl carbonate?
The InChIKey is OODWYXYAIHBIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-4-17-11-12-19-15(3,20-14(16)18-5-2)13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3.
What are the key properties of [1-(2-ethoxyethoxy)-1-phenylethyl] ethyl carbonate?
[1-(2-ethoxyethoxy)-1-phenylethyl] ethyl carbonate has a molecular weight of 282.34 g/mol, XLogP of 3.09, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethoxyethoxy)-1-phenylethyl] ethyl carbonate is sourced from PubChem (CID 118088572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).