3-[1-butoxy-1-[1-butoxy-1-(3-ethyloxetan-3-yl)propoxy]propyl]-3-ethyloxetane

C24H46O5 — CID 66694601

IUPAC3-[1-butoxy-1-[1-butoxy-1-(3-ethyloxetan-3-yl)propoxy]propyl]-3-ethyloxetane
SMILESCCCCOC(CC)(OC(CC)(OCCCC)C1(CC)COC1)C1(CC)COC1
InChIInChI=1S/C24H46O5/c1-7-13-15-27-23(11-5,21(9-3)17-25-18-21)29-24(12-6,28-16-14-8-2)22(10-4)19-26-20-22/h7-20H2,1-6H3
InChIKeyFFPOPXIUXCEAOS-UHFFFAOYSA-N
MW414.63 g/mol
LogP5.70
Rot. Bonds16

About 3-[1-butoxy-1-[1-butoxy-1-(3-ethyloxetan-3-yl)propoxy]propyl]-3-ethyloxetane

3-[1-butoxy-1-[1-butoxy-1-(3-ethyloxetan-3-yl)propoxy]propyl]-3-ethyloxetane (PubChem CID 66694601) has the molecular formula C24H46O5 and a molecular weight of 414.63 g/mol. Its IUPAC name is 3-[1-butoxy-1-[1-butoxy-1-(3-ethyloxetan-3-yl)propoxy]propyl]-3-ethyloxetane.

Molecular Properties

Compound Name3-[1-butoxy-1-[1-butoxy-1-(3-ethyloxetan-3-yl)propoxy]propyl]-3-ethyloxetane
PubChem CID66694601
Molecular FormulaC24H46O5
Molecular Weight414.63 g/mol
Exact Mass414.33
IUPAC Name3-[1-butoxy-1-[1-butoxy-1-(3-ethyloxetan-3-yl)propoxy]propyl]-3-ethyloxetane
SMILESCCCCOC(CC)(OC(CC)(OCCCC)C1(CC)COC1)C1(CC)COC1
InChIInChI=1S/C24H46O5/c1-7-13-15-27-23(11-5,21(9-3)17-25-18-21)29-24(12-6,28-16-14-8-2)22(10-4)19-26-20-22/h7-20H2,1-6H3
InChIKeyFFPOPXIUXCEAOS-UHFFFAOYSA-N
XLogP5.70
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.63
LogP ≤ 55.70
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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Frequently Asked Questions

What is the IUPAC name of 3-[1-butoxy-1-[1-butoxy-1-(3-ethyloxetan-3-yl)propoxy]propyl]-3-ethyloxetane?
The IUPAC name of 3-[1-butoxy-1-[1-butoxy-1-(3-ethyloxetan-3-yl)propoxy]propyl]-3-ethyloxetane (CID 66694601) is 3-[1-butoxy-1-[1-butoxy-1-(3-ethyloxetan-3-yl)propoxy]propyl]-3-ethyloxetane.
What is the SMILES notation for 3-[1-butoxy-1-[1-butoxy-1-(3-ethyloxetan-3-yl)propoxy]propyl]-3-ethyloxetane?
The canonical SMILES for 3-[1-butoxy-1-[1-butoxy-1-(3-ethyloxetan-3-yl)propoxy]propyl]-3-ethyloxetane is CCCCOC(CC)(OC(CC)(OCCCC)C1(CC)COC1)C1(CC)COC1.
What is the InChIKey of 3-[1-butoxy-1-[1-butoxy-1-(3-ethyloxetan-3-yl)propoxy]propyl]-3-ethyloxetane?
The InChIKey is FFPOPXIUXCEAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O5/c1-7-13-15-27-23(11-5,21(9-3)17-25-18-21)29-24(12-6,28-16-14-8-2)22(10-4)19-26-20-22/h7-20H2,1-6H3.
What are the key properties of 3-[1-butoxy-1-[1-butoxy-1-(3-ethyloxetan-3-yl)propoxy]propyl]-3-ethyloxetane?
3-[1-butoxy-1-[1-butoxy-1-(3-ethyloxetan-3-yl)propoxy]propyl]-3-ethyloxetane has a molecular weight of 414.63 g/mol, XLogP of 5.70, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-butoxy-1-[1-butoxy-1-(3-ethyloxetan-3-yl)propoxy]propyl]-3-ethyloxetane is sourced from PubChem (CID 66694601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).