[2-[2-(2-acetyloxy-1-ethoxyethoxy)phenoxy]-2-ethoxyethyl] acetate

C18H26O8 — CID 140556771

IUPAC[2-[2-(2-acetyloxy-1-ethoxyethoxy)phenoxy]-2-ethoxyethyl] acetate
SMILESCCOC(COC(C)=O)Oc1ccccc1OC(COC(C)=O)OCC
InChIInChI=1S/C18H26O8/c1-5-21-17(11-23-13(3)19)25-15-9-7-8-10-16(15)26-18(22-6-2)12-24-14(4)20/h7-10,17-18H,5-6,11-12H2,1-4H3
InChIKeyOPUJNMBPRKDQSV-UHFFFAOYSA-N
MW370.40 g/mol
LogP2.30
Rot. Bonds12

About [2-[2-(2-acetyloxy-1-ethoxyethoxy)phenoxy]-2-ethoxyethyl] acetate

[2-[2-(2-acetyloxy-1-ethoxyethoxy)phenoxy]-2-ethoxyethyl] acetate (PubChem CID 140556771) has the molecular formula C18H26O8 and a molecular weight of 370.40 g/mol. Its IUPAC name is [2-[2-(2-acetyloxy-1-ethoxyethoxy)phenoxy]-2-ethoxyethyl] acetate.

Molecular Properties

Compound Name[2-[2-(2-acetyloxy-1-ethoxyethoxy)phenoxy]-2-ethoxyethyl] acetate
PubChem CID140556771
Molecular FormulaC18H26O8
Molecular Weight370.40 g/mol
Exact Mass370.16
IUPAC Name[2-[2-(2-acetyloxy-1-ethoxyethoxy)phenoxy]-2-ethoxyethyl] acetate
SMILESCCOC(COC(C)=O)Oc1ccccc1OC(COC(C)=O)OCC
InChIInChI=1S/C18H26O8/c1-5-21-17(11-23-13(3)19)25-15-9-7-8-10-16(15)26-18(22-6-2)12-24-14(4)20/h7-10,17-18H,5-6,11-12H2,1-4H3
InChIKeyOPUJNMBPRKDQSV-UHFFFAOYSA-N
XLogP2.30
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,2-diethoxyethoxymethyl)phenyl] acetate
CID 91409539
4-(2-ethoxyphenoxy)pentan-2-one
CID 64698334
acetic acid;ethyl acetate;methanol;toluene
CID 19857576
[2-(2-acetyloxyacetyl)oxyphenyl] 2-acetyloxyacetate
CID 91701441
(2-amino-2-ethoxyethyl) acetate;benzylcarbamic acid
CID 159317462
(2-ethoxy-2-phenylmethoxyethyl) benzoate
CID 67036825
[2-acetyloxy-3-(phenyldisulfanyl)propyl] acetate;propane
CID 91318264
ethyl acetate;toluene
CID 66707740
ethyl acetate;toluene
CID 70093554
[(2S)-2-phenylpropyl] acetate
CID 10261650
[2-chloro-3-(2-ethoxycarbonyloxyphenyl)propyl] acetate
CID 10494485
2-(3-amino-2-ethoxypropoxy)benzamide
CID 63069875

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-acetyloxy-1-ethoxyethoxy)phenoxy]-2-ethoxyethyl] acetate?
The IUPAC name of [2-[2-(2-acetyloxy-1-ethoxyethoxy)phenoxy]-2-ethoxyethyl] acetate (CID 140556771) is [2-[2-(2-acetyloxy-1-ethoxyethoxy)phenoxy]-2-ethoxyethyl] acetate.
What is the SMILES notation for [2-[2-(2-acetyloxy-1-ethoxyethoxy)phenoxy]-2-ethoxyethyl] acetate?
The canonical SMILES for [2-[2-(2-acetyloxy-1-ethoxyethoxy)phenoxy]-2-ethoxyethyl] acetate is CCOC(COC(C)=O)Oc1ccccc1OC(COC(C)=O)OCC.
What is the InChIKey of [2-[2-(2-acetyloxy-1-ethoxyethoxy)phenoxy]-2-ethoxyethyl] acetate?
The InChIKey is OPUJNMBPRKDQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O8/c1-5-21-17(11-23-13(3)19)25-15-9-7-8-10-16(15)26-18(22-6-2)12-24-14(4)20/h7-10,17-18H,5-6,11-12H2,1-4H3.
What are the key properties of [2-[2-(2-acetyloxy-1-ethoxyethoxy)phenoxy]-2-ethoxyethyl] acetate?
[2-[2-(2-acetyloxy-1-ethoxyethoxy)phenoxy]-2-ethoxyethyl] acetate has a molecular weight of 370.40 g/mol, XLogP of 2.30, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-acetyloxy-1-ethoxyethoxy)phenoxy]-2-ethoxyethyl] acetate is sourced from PubChem (CID 140556771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).