3-[2-butoxy-1-[2-butoxy-1-(3-ethyloxetan-3-yl)propoxy]propyl]-3-ethyloxetane

C24H46O5 — CID 66623211

IUPAC3-[2-butoxy-1-[2-butoxy-1-(3-ethyloxetan-3-yl)propoxy]propyl]-3-ethyloxetane
SMILESCCCCOC(C)C(OC(C(C)OCCCC)C1(CC)COC1)C1(CC)COC1
InChIInChI=1S/C24H46O5/c1-7-11-13-27-19(5)21(23(9-3)15-25-16-23)29-22(20(6)28-14-12-8-2)24(10-4)17-26-18-24/h19-22H,7-18H2,1-6H3
InChIKeyKFFASPMQYRXNOW-UHFFFAOYSA-N
MW414.63 g/mol
LogP5.00
Rot. Bonds16

About 3-[2-butoxy-1-[2-butoxy-1-(3-ethyloxetan-3-yl)propoxy]propyl]-3-ethyloxetane

3-[2-butoxy-1-[2-butoxy-1-(3-ethyloxetan-3-yl)propoxy]propyl]-3-ethyloxetane (PubChem CID 66623211) has the molecular formula C24H46O5 and a molecular weight of 414.63 g/mol. Its IUPAC name is 3-[2-butoxy-1-[2-butoxy-1-(3-ethyloxetan-3-yl)propoxy]propyl]-3-ethyloxetane.

Molecular Properties

Compound Name3-[2-butoxy-1-[2-butoxy-1-(3-ethyloxetan-3-yl)propoxy]propyl]-3-ethyloxetane
PubChem CID66623211
Molecular FormulaC24H46O5
Molecular Weight414.63 g/mol
Exact Mass414.33
IUPAC Name3-[2-butoxy-1-[2-butoxy-1-(3-ethyloxetan-3-yl)propoxy]propyl]-3-ethyloxetane
SMILESCCCCOC(C)C(OC(C(C)OCCCC)C1(CC)COC1)C1(CC)COC1
InChIInChI=1S/C24H46O5/c1-7-11-13-27-19(5)21(23(9-3)15-25-16-23)29-22(20(6)28-14-12-8-2)24(10-4)17-26-18-24/h19-22H,7-18H2,1-6H3
InChIKeyKFFASPMQYRXNOW-UHFFFAOYSA-N
XLogP5.00
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 ≤ 55.00
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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Frequently Asked Questions

What is the IUPAC name of 3-[2-butoxy-1-[2-butoxy-1-(3-ethyloxetan-3-yl)propoxy]propyl]-3-ethyloxetane?
The IUPAC name of 3-[2-butoxy-1-[2-butoxy-1-(3-ethyloxetan-3-yl)propoxy]propyl]-3-ethyloxetane (CID 66623211) is 3-[2-butoxy-1-[2-butoxy-1-(3-ethyloxetan-3-yl)propoxy]propyl]-3-ethyloxetane.
What is the SMILES notation for 3-[2-butoxy-1-[2-butoxy-1-(3-ethyloxetan-3-yl)propoxy]propyl]-3-ethyloxetane?
The canonical SMILES for 3-[2-butoxy-1-[2-butoxy-1-(3-ethyloxetan-3-yl)propoxy]propyl]-3-ethyloxetane is CCCCOC(C)C(OC(C(C)OCCCC)C1(CC)COC1)C1(CC)COC1.
What is the InChIKey of 3-[2-butoxy-1-[2-butoxy-1-(3-ethyloxetan-3-yl)propoxy]propyl]-3-ethyloxetane?
The InChIKey is KFFASPMQYRXNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O5/c1-7-11-13-27-19(5)21(23(9-3)15-25-16-23)29-22(20(6)28-14-12-8-2)24(10-4)17-26-18-24/h19-22H,7-18H2,1-6H3.
What are the key properties of 3-[2-butoxy-1-[2-butoxy-1-(3-ethyloxetan-3-yl)propoxy]propyl]-3-ethyloxetane?
3-[2-butoxy-1-[2-butoxy-1-(3-ethyloxetan-3-yl)propoxy]propyl]-3-ethyloxetane has a molecular weight of 414.63 g/mol, XLogP of 5.00, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-butoxy-1-[2-butoxy-1-(3-ethyloxetan-3-yl)propoxy]propyl]-3-ethyloxetane is sourced from PubChem (CID 66623211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).