3-ethyl-3-[3-[3-(3-ethyloxetan-3-yl)nonan-3-yloxy]nonan-3-yl]oxetane

C28H54O3 — CID 141156042

IUPAC3-ethyl-3-[3-[3-(3-ethyloxetan-3-yl)nonan-3-yloxy]nonan-3-yl]oxetane
SMILESCCCCCCC(CC)(OC(CC)(CCCCCC)C1(CC)COC1)C1(CC)COC1
InChIInChI=1S/C28H54O3/c1-7-13-15-17-19-27(11-5,25(9-3)21-29-22-25)31-28(12-6,20-18-16-14-8-2)26(10-4)23-30-24-26/h7-24H2,1-6H3
InChIKeyKTEMDWPGASRBLA-UHFFFAOYSA-N
MW438.74 g/mol
LogP8.09
Rot. Bonds18

About 3-ethyl-3-[3-[3-(3-ethyloxetan-3-yl)nonan-3-yloxy]nonan-3-yl]oxetane

3-ethyl-3-[3-[3-(3-ethyloxetan-3-yl)nonan-3-yloxy]nonan-3-yl]oxetane (PubChem CID 141156042) has the molecular formula C28H54O3 and a molecular weight of 438.74 g/mol. Its IUPAC name is 3-ethyl-3-[3-[3-(3-ethyloxetan-3-yl)nonan-3-yloxy]nonan-3-yl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[3-[3-(3-ethyloxetan-3-yl)nonan-3-yloxy]nonan-3-yl]oxetane
PubChem CID141156042
Molecular FormulaC28H54O3
Molecular Weight438.74 g/mol
Exact Mass438.41
IUPAC Name3-ethyl-3-[3-[3-(3-ethyloxetan-3-yl)nonan-3-yloxy]nonan-3-yl]oxetane
SMILESCCCCCCC(CC)(OC(CC)(CCCCCC)C1(CC)COC1)C1(CC)COC1
InChIInChI=1S/C28H54O3/c1-7-13-15-17-19-27(11-5,25(9-3)21-29-22-25)31-28(12-6,20-18-16-14-8-2)26(10-4)23-30-24-26/h7-24H2,1-6H3
InChIKeyKTEMDWPGASRBLA-UHFFFAOYSA-N
XLogP8.09
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.74
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-3-(2-hexoxybutan-2-yl)oxetane
CID 146546175
3-[1-butoxy-1-[1-butoxy-1-(3-ethyloxetan-3-yl)propoxy]propyl]-3-ethyloxetane
CID 66694601
[2-(3-ethyloxetan-3-yl)-2-propoxybutyl]-dimethoxysilane
CID 173225842
9-phosphanylheptacosan-9-ylphosphane
CID 174586813
3-methyl-3-(3-methyloctadecan-3-yloxy)octadecane
CID 141329279
tris(3-pentyloxetan-3-yl)methyl dihydrogen phosphite
CID 70500531
3-ethyl-3-(octadecoxymethyl)oxetane
CID 22496628
3-methyl-3-octyloxetane
CID 162658167
decane;ruthenium
CID 160818595
12-undecyltricosan-12-ylphosphane
CID 21324491
2-[9-[9-(oxiran-2-yl)nonadecan-9-yloxy]nonadecan-9-yl]oxirane
CID 118162349
1,1,2,2-tetramethoxyoctane
CID 15697911

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[3-[3-(3-ethyloxetan-3-yl)nonan-3-yloxy]nonan-3-yl]oxetane?
The IUPAC name of 3-ethyl-3-[3-[3-(3-ethyloxetan-3-yl)nonan-3-yloxy]nonan-3-yl]oxetane (CID 141156042) is 3-ethyl-3-[3-[3-(3-ethyloxetan-3-yl)nonan-3-yloxy]nonan-3-yl]oxetane.
What is the SMILES notation for 3-ethyl-3-[3-[3-(3-ethyloxetan-3-yl)nonan-3-yloxy]nonan-3-yl]oxetane?
The canonical SMILES for 3-ethyl-3-[3-[3-(3-ethyloxetan-3-yl)nonan-3-yloxy]nonan-3-yl]oxetane is CCCCCCC(CC)(OC(CC)(CCCCCC)C1(CC)COC1)C1(CC)COC1.
What is the InChIKey of 3-ethyl-3-[3-[3-(3-ethyloxetan-3-yl)nonan-3-yloxy]nonan-3-yl]oxetane?
The InChIKey is KTEMDWPGASRBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54O3/c1-7-13-15-17-19-27(11-5,25(9-3)21-29-22-25)31-28(12-6,20-18-16-14-8-2)26(10-4)23-30-24-26/h7-24H2,1-6H3.
What are the key properties of 3-ethyl-3-[3-[3-(3-ethyloxetan-3-yl)nonan-3-yloxy]nonan-3-yl]oxetane?
3-ethyl-3-[3-[3-(3-ethyloxetan-3-yl)nonan-3-yloxy]nonan-3-yl]oxetane has a molecular weight of 438.74 g/mol, XLogP of 8.09, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[3-[3-(3-ethyloxetan-3-yl)nonan-3-yloxy]nonan-3-yl]oxetane is sourced from PubChem (CID 141156042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).