3-ethyl-3-[[(2E)-octa-2,7-dienoxy]methyl]oxetane

C14H24O2 — CID 67789044

IUPAC3-ethyl-3-[[(2E)-octa-2,7-dienoxy]methyl]oxetane
SMILESC=CCCC/C=C/COCC1(CC)COC1
InChIInChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-15-11-14(4-2)12-16-13-14/h3,8-9H,1,4-7,10-13H2,2H3/b9-8+
InChIKeyVZQMGAFSHJIREW-CMDGGOBGSA-N
MW224.34 g/mol
LogP3.34
Rot. Bonds9

About 3-ethyl-3-[[(2E)-octa-2,7-dienoxy]methyl]oxetane

3-ethyl-3-[[(2E)-octa-2,7-dienoxy]methyl]oxetane (PubChem CID 67789044) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 3-ethyl-3-[[(2E)-octa-2,7-dienoxy]methyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[[(2E)-octa-2,7-dienoxy]methyl]oxetane
PubChem CID67789044
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name3-ethyl-3-[[(2E)-octa-2,7-dienoxy]methyl]oxetane
SMILESC=CCCC/C=C/COCC1(CC)COC1
InChIInChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-15-11-14(4-2)12-16-13-14/h3,8-9H,1,4-7,10-13H2,2H3/b9-8+
InChIKeyVZQMGAFSHJIREW-CMDGGOBGSA-N
XLogP3.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Neopentyl(diallyl)oxy
CID 129826984
1-Ethoxy-5,5-dimethyl-2-hexene
CID 6420737
2,9-Dioxaspiro[6.6]trideca-4,11-diene
CID 86214882
(2E,7E)-5,5-bis(prop-2-enoxymethyl)nona-2,7-diene
CID 101200823
2-[(E)-hex-1-enyl]-2-methyloxetane
CID 135024855
2,2-bis[(E)-hex-1-enyl]oxetane
CID 135042493
3-methyl-3-[[(2E)-3-methylhepta-2,6-dienoxy]methyl]oxetane
CID 23149524
3-Ethyl-3-(octa-2,7-dienoxymethyl)oxetane
CID 54419268
3-methyl-3-[[(2E,6E)-3-methylocta-2,6-dienoxy]methyl]oxetane
CID 58730172
(Z)-1-(3,3-dimethylbutoxy)-4,4-dimethylpent-2-ene
CID 58798517
3-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-3-methyloxetane
CID 58958835
3-Ethyl-3-[1-(3-ethyloxetan-3-yl)hex-2-enoxymethyl]oxetane
CID 68441879

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[[(2E)-octa-2,7-dienoxy]methyl]oxetane?
The IUPAC name of 3-ethyl-3-[[(2E)-octa-2,7-dienoxy]methyl]oxetane (CID 67789044) is 3-ethyl-3-[[(2E)-octa-2,7-dienoxy]methyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[[(2E)-octa-2,7-dienoxy]methyl]oxetane?
The canonical SMILES for 3-ethyl-3-[[(2E)-octa-2,7-dienoxy]methyl]oxetane is C=CCCC/C=C/COCC1(CC)COC1.
What is the InChIKey of 3-ethyl-3-[[(2E)-octa-2,7-dienoxy]methyl]oxetane?
The InChIKey is VZQMGAFSHJIREW-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-15-11-14(4-2)12-16-13-14/h3,8-9H,1,4-7,10-13H2,2H3/b9-8+.
What are the key properties of 3-ethyl-3-[[(2E)-octa-2,7-dienoxy]methyl]oxetane?
3-ethyl-3-[[(2E)-octa-2,7-dienoxy]methyl]oxetane has a molecular weight of 224.34 g/mol, XLogP of 3.34, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[[(2E)-octa-2,7-dienoxy]methyl]oxetane is sourced from PubChem (CID 67789044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).