3-ethyl-3-[(E)-1-[(3-ethyloxetan-3-yl)methoxy]-2-methyldodec-2-enyl]oxetane

C24H44O3 — CID 141096115

IUPAC3-ethyl-3-[(E)-1-[(3-ethyloxetan-3-yl)methoxy]-2-methyldodec-2-enyl]oxetane
SMILESCCCCCCCCC/C=C(\C)C(OCC1(CC)COC1)C1(CC)COC1
InChIInChI=1S/C24H44O3/c1-5-8-9-10-11-12-13-14-15-21(4)22(24(7-3)19-26-20-24)27-18-23(6-2)16-25-17-23/h15,22H,5-14,16-20H2,1-4H3/b21-15+
InChIKeyNKKJNYOHFLAHEO-RCCKNPSSSA-N
MW380.61 g/mol
LogP6.31
Rot. Bonds15

About 3-ethyl-3-[(E)-1-[(3-ethyloxetan-3-yl)methoxy]-2-methyldodec-2-enyl]oxetane

3-ethyl-3-[(E)-1-[(3-ethyloxetan-3-yl)methoxy]-2-methyldodec-2-enyl]oxetane (PubChem CID 141096115) has the molecular formula C24H44O3 and a molecular weight of 380.61 g/mol. Its IUPAC name is 3-ethyl-3-[(E)-1-[(3-ethyloxetan-3-yl)methoxy]-2-methyldodec-2-enyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[(E)-1-[(3-ethyloxetan-3-yl)methoxy]-2-methyldodec-2-enyl]oxetane
PubChem CID141096115
Molecular FormulaC24H44O3
Molecular Weight380.61 g/mol
Exact Mass380.33
IUPAC Name3-ethyl-3-[(E)-1-[(3-ethyloxetan-3-yl)methoxy]-2-methyldodec-2-enyl]oxetane
SMILESCCCCCCCCC/C=C(\C)C(OCC1(CC)COC1)C1(CC)COC1
InChIInChI=1S/C24H44O3/c1-5-8-9-10-11-12-13-14-15-21(4)22(24(7-3)19-26-20-24)27-18-23(6-2)16-25-17-23/h15,22H,5-14,16-20H2,1-4H3/b21-15+
InChIKeyNKKJNYOHFLAHEO-RCCKNPSSSA-N
XLogP6.31
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.61
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-3-(octadecoxymethyl)oxetane
CID 22496628
(E)-2-[(E)-pentadec-2-en-2-yl]oxypentadec-2-ene
CID 90470665
3-(butoxymethyl)-3-ethyloxetane;3,3-diethyloxetane
CID 160915976
trimethyl-[(Z)-oct-2-en-2-yl]oxysilane
CID 11275679
3,3-bis(octoxymethyl)oxetane
CID 58963686
3-ethyl-3-[1,1,1-tris[(3-ethyloxetan-3-yl)methoxy]pentan-2-yloxymethyl]oxetane
CID 141327303
1-[(3-methyloxetan-3-yl)methoxy]dodecan-1-ol
CID 67973082
2,3,4-trimethyldec-4-ene
CID 123648620
7,8-dimethyltridec-6-ene
CID 123214902
3-ethyl-3-[[(E)-4-(2-methylbutan-2-yloxy)but-2-en-2-yl]oxymethyl]oxetane
CID 173479452
3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]heptan-4-yloxymethyl]oxetane
CID 175533213
(3-ethyloxetan-3-yl)methyl N-butylcarbamate
CID 20682757

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[(E)-1-[(3-ethyloxetan-3-yl)methoxy]-2-methyldodec-2-enyl]oxetane?
The IUPAC name of 3-ethyl-3-[(E)-1-[(3-ethyloxetan-3-yl)methoxy]-2-methyldodec-2-enyl]oxetane (CID 141096115) is 3-ethyl-3-[(E)-1-[(3-ethyloxetan-3-yl)methoxy]-2-methyldodec-2-enyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[(E)-1-[(3-ethyloxetan-3-yl)methoxy]-2-methyldodec-2-enyl]oxetane?
The canonical SMILES for 3-ethyl-3-[(E)-1-[(3-ethyloxetan-3-yl)methoxy]-2-methyldodec-2-enyl]oxetane is CCCCCCCCC/C=C(\C)C(OCC1(CC)COC1)C1(CC)COC1.
What is the InChIKey of 3-ethyl-3-[(E)-1-[(3-ethyloxetan-3-yl)methoxy]-2-methyldodec-2-enyl]oxetane?
The InChIKey is NKKJNYOHFLAHEO-RCCKNPSSSA-N. The full InChI is InChI=1S/C24H44O3/c1-5-8-9-10-11-12-13-14-15-21(4)22(24(7-3)19-26-20-24)27-18-23(6-2)16-25-17-23/h15,22H,5-14,16-20H2,1-4H3/b21-15+.
What are the key properties of 3-ethyl-3-[(E)-1-[(3-ethyloxetan-3-yl)methoxy]-2-methyldodec-2-enyl]oxetane?
3-ethyl-3-[(E)-1-[(3-ethyloxetan-3-yl)methoxy]-2-methyldodec-2-enyl]oxetane has a molecular weight of 380.61 g/mol, XLogP of 6.31, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[(E)-1-[(3-ethyloxetan-3-yl)methoxy]-2-methyldodec-2-enyl]oxetane is sourced from PubChem (CID 141096115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).