[1-[(3-ethyloxetan-3-yl)methoxy]-3-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxy]propan-2-yl] formate

C20H36O8 — CID 145439691

IUPAC[1-[(3-ethyloxetan-3-yl)methoxy]-3-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxy]propan-2-yl] formate
SMILESCCC1(COCCOCCOCC(COCC2(CC)COC2)OC=O)COC1
InChIInChI=1S/C20H36O8/c1-3-19(13-26-14-19)11-24-8-6-22-5-7-23-9-18(28-17-21)10-25-12-20(4-2)15-27-16-20/h17-18H,3-16H2,1-2H3
InChIKeyUDRWLGHKAHGLMT-UHFFFAOYSA-N
MW404.50 g/mol
LogP1.45
Rot. Bonds18

About [1-[(3-ethyloxetan-3-yl)methoxy]-3-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxy]propan-2-yl] formate

[1-[(3-ethyloxetan-3-yl)methoxy]-3-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxy]propan-2-yl] formate (PubChem CID 145439691) has the molecular formula C20H36O8 and a molecular weight of 404.50 g/mol. Its IUPAC name is [1-[(3-ethyloxetan-3-yl)methoxy]-3-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxy]propan-2-yl] formate.

Molecular Properties

Compound Name[1-[(3-ethyloxetan-3-yl)methoxy]-3-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxy]propan-2-yl] formate
PubChem CID145439691
Molecular FormulaC20H36O8
Molecular Weight404.50 g/mol
Exact Mass404.24
IUPAC Name[1-[(3-ethyloxetan-3-yl)methoxy]-3-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxy]propan-2-yl] formate
SMILESCCC1(COCCOCCOCC(COCC2(CC)COC2)OC=O)COC1
InChIInChI=1S/C20H36O8/c1-3-19(13-26-14-19)11-24-8-6-22-5-7-23-9-18(28-17-21)10-25-12-20(4-2)15-27-16-20/h17-18H,3-16H2,1-2H3
InChIKeyUDRWLGHKAHGLMT-UHFFFAOYSA-N
XLogP1.45
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-ethyloxetan-3-yl)methoxy]-3-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxy]propan-2-yl] formate?
The IUPAC name of [1-[(3-ethyloxetan-3-yl)methoxy]-3-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxy]propan-2-yl] formate (CID 145439691) is [1-[(3-ethyloxetan-3-yl)methoxy]-3-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxy]propan-2-yl] formate.
What is the SMILES notation for [1-[(3-ethyloxetan-3-yl)methoxy]-3-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxy]propan-2-yl] formate?
The canonical SMILES for [1-[(3-ethyloxetan-3-yl)methoxy]-3-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxy]propan-2-yl] formate is CCC1(COCCOCCOCC(COCC2(CC)COC2)OC=O)COC1.
What is the InChIKey of [1-[(3-ethyloxetan-3-yl)methoxy]-3-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxy]propan-2-yl] formate?
The InChIKey is UDRWLGHKAHGLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O8/c1-3-19(13-26-14-19)11-24-8-6-22-5-7-23-9-18(28-17-21)10-25-12-20(4-2)15-27-16-20/h17-18H,3-16H2,1-2H3.
What are the key properties of [1-[(3-ethyloxetan-3-yl)methoxy]-3-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxy]propan-2-yl] formate?
[1-[(3-ethyloxetan-3-yl)methoxy]-3-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxy]propan-2-yl] formate has a molecular weight of 404.50 g/mol, XLogP of 1.45, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-ethyloxetan-3-yl)methoxy]-3-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxy]propan-2-yl] formate is sourced from PubChem (CID 145439691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).