[3-propoxy-2-(2-propoxyethoxy)propyl] acetate

C13H26O5 — CID 162455221

IUPAC[3-propoxy-2-(2-propoxyethoxy)propyl] acetate
SMILESCCCOCCOC(COCCC)COC(C)=O
InChIInChI=1S/C13H26O5/c1-4-6-15-8-9-17-13(10-16-7-5-2)11-18-12(3)14/h13H,4-11H2,1-3H3
InChIKeyFSLDORQONJRMOB-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.79
Rot. Bonds12

About [3-propoxy-2-(2-propoxyethoxy)propyl] acetate

[3-propoxy-2-(2-propoxyethoxy)propyl] acetate (PubChem CID 162455221) has the molecular formula C13H26O5 and a molecular weight of 262.35 g/mol. Its IUPAC name is [3-propoxy-2-(2-propoxyethoxy)propyl] acetate.

Molecular Properties

Compound Name[3-propoxy-2-(2-propoxyethoxy)propyl] acetate
PubChem CID162455221
Molecular FormulaC13H26O5
Molecular Weight262.35 g/mol
Exact Mass262.18
IUPAC Name[3-propoxy-2-(2-propoxyethoxy)propyl] acetate
SMILESCCCOCCOC(COCCC)COC(C)=O
InChIInChI=1S/C13H26O5/c1-4-6-15-8-9-17-13(10-16-7-5-2)11-18-12(3)14/h13H,4-11H2,1-3H3
InChIKeyFSLDORQONJRMOB-UHFFFAOYSA-N
XLogP1.79
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3-dipropoxypropyl acetate;ethylphosphane;methane
CID 158965859
2-[2-(2-acetyloxyethoxy)-3-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]propoxy]ethyl acetate
CID 59854102
2-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]ethyl acetate
CID 159300101
2-(2-ethoxyethoxy)pentyl acetate
CID 87309415
2-[2-(2-acetyloxyethoxy)-3-aminopropoxy]ethyl acetate
CID 176791214
2-[2-(2-acetyloxyethoxy)-3-hydroxypropoxy]ethyl acetate
CID 176616060
methane;methylsulfanylmethane;2-(2-propoxyethoxy)-1-[2-(2-propoxyethoxy)ethoxy]-3-[2-(2-propoxyethoxy)-3-[2-(2-propoxyethoxy)-3-[2-(2-propoxyethoxy)-3-[2-(2-propoxyethoxy)-3-[2-(2-propoxyethoxy)-3-[2-(2-propoxyethoxy)ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propane
CID 159675079
(2-acetyloxy-3-butoxypropyl) acetate
CID 14173108
ethyl acetate;methanol;1-propoxypropane
CID 175234331
2-[2-[2-[1-(2-propoxyethoxy)butan-2-yloxy]ethoxy]ethoxy]ethanol
CID 140916891
2-butoxyethyl acetate;2-propoxyethyl acetate
CID 88726109
(2-hydroxy-4-propoxybutyl) acetate
CID 121280529

Frequently Asked Questions

What is the IUPAC name of [3-propoxy-2-(2-propoxyethoxy)propyl] acetate?
The IUPAC name of [3-propoxy-2-(2-propoxyethoxy)propyl] acetate (CID 162455221) is [3-propoxy-2-(2-propoxyethoxy)propyl] acetate.
What is the SMILES notation for [3-propoxy-2-(2-propoxyethoxy)propyl] acetate?
The canonical SMILES for [3-propoxy-2-(2-propoxyethoxy)propyl] acetate is CCCOCCOC(COCCC)COC(C)=O.
What is the InChIKey of [3-propoxy-2-(2-propoxyethoxy)propyl] acetate?
The InChIKey is FSLDORQONJRMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5/c1-4-6-15-8-9-17-13(10-16-7-5-2)11-18-12(3)14/h13H,4-11H2,1-3H3.
What are the key properties of [3-propoxy-2-(2-propoxyethoxy)propyl] acetate?
[3-propoxy-2-(2-propoxyethoxy)propyl] acetate has a molecular weight of 262.35 g/mol, XLogP of 1.79, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-propoxy-2-(2-propoxyethoxy)propyl] acetate is sourced from PubChem (CID 162455221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).